(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide

C13H27BrN4O3 — CID 18600444

IUPAC(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
SMILESBr.CC(C)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C13H26N4O3.BrH/c1-7(2)6-15-12(19)9(4)17-13(20)10(5)16-11(18)8(3)14;/h7-10H,6,14H2,1-5H3,(H,15,19)(H,16,18)(H,17,20);1H/t8-,9-,10-;/m0./s1
InChIKeyMZVILAVHSKONBC-PUBMXKGKSA-N
MW367.29 g/mol
LogP-0.31
Rot. Bonds7

About (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide (PubChem CID 18600444) has the molecular formula C13H27BrN4O3 and a molecular weight of 367.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
PubChem CID18600444
Molecular FormulaC13H27BrN4O3
Molecular Weight367.29 g/mol
Exact Mass366.13
IUPAC Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
SMILESBr.CC(C)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C13H26N4O3.BrH/c1-7(2)6-15-12(19)9(4)17-13(20)10(5)16-11(18)8(3)14;/h7-10H,6,14H2,1-5H3,(H,15,19)(H,16,18)(H,17,20);1H/t8-,9-,10-;/m0./s1
InChIKeyMZVILAVHSKONBC-PUBMXKGKSA-N
XLogP-0.31
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-(2-methylpropyl)butanamide
CID 86589155
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 4079599
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide (CID 18600444) is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide is Br.CC(C)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide?
The InChIKey is MZVILAVHSKONBC-PUBMXKGKSA-N. The full InChI is InChI=1S/C13H26N4O3.BrH/c1-7(2)6-15-12(19)9(4)17-13(20)10(5)16-11(18)8(3)14;/h7-10H,6,14H2,1-5H3,(H,15,19)(H,16,18)(H,17,20);1H/t8-,9-,10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide?
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide has a molecular weight of 367.29 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide is sourced from PubChem (CID 18600444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).