(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide

C7H15N3O2 — CID 14888125

IUPAC(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C7H15N3O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-,5-/m0/s1
InChIKeyYGIVVAKQDXCPKN-WHFBIAKZSA-N
MW173.22 g/mol
LogP-1.42
Rot. Bonds3

About (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 14888125) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
PubChem CID14888125
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C7H15N3O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-,5-/m0/s1
InChIKeyYGIVVAKQDXCPKN-WHFBIAKZSA-N
XLogP-1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
(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
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(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
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid;hydrate
CID 91872910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide (CID 14888125) is (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide is CNC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is YGIVVAKQDXCPKN-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 173.22 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 14888125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).