(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide

C10H21N3O2 — CID 141214116

IUPAC(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](NC(=O)CN)C(C)C
InChIInChI=1S/C10H21N3O2/c1-4-5-12-10(15)9(7(2)3)13-8(14)6-11/h7,9H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyXRPROWWPCUHMIS-VIFPVBQESA-N
MW215.30 g/mol
LogP-0.39
Rot. Bonds6

About (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide

(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide (PubChem CID 141214116) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
PubChem CID141214116
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](NC(=O)CN)C(C)C
InChIInChI=1S/C10H21N3O2/c1-4-5-12-10(15)9(7(2)3)13-8(14)6-11/h7,9H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyXRPROWWPCUHMIS-VIFPVBQESA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]acetic acid
CID 18492419
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]amino]butanedioic acid
CID 18492376
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18487868
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18491430
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]butanedioic acid
CID 145069198
(2S)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 174268684
(2R)-3-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 92919705
2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 18221046
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18492432
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide (CID 141214116) is (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide is CCCNC(=O)[C@@H](NC(=O)CN)C(C)C.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide?
The InChIKey is XRPROWWPCUHMIS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-5-12-10(15)9(7(2)3)13-8(14)6-11/h7,9H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide?
(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide is sourced from PubChem (CID 141214116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).