2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide

C9H19N3O2 — CID 119320423

IUPAC2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
SMILESC[C@H](N)C(=O)NC(C(N)=O)C(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-5(10)8(14)12-6(7(11)13)9(2,3)4/h5-6H,10H2,1-4H3,(H2,11,13)(H,12,14)/t5-,6?/m0/s1
InChIKeyAQBGREZJIWCLKK-ZBHICJROSA-N
MW201.27 g/mol
LogP-0.65
Rot. Bonds3

About 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide

2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide (PubChem CID 119320423) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
PubChem CID119320423
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
SMILESC[C@H](N)C(=O)NC(C(N)=O)C(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-5(10)8(14)12-6(7(11)13)9(2,3)4/h5-6H,10H2,1-4H3,(H2,11,13)(H,12,14)/t5-,6?/m0/s1
InChIKeyAQBGREZJIWCLKK-ZBHICJROSA-N
XLogP-0.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
CID 119320432
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide (CID 119320423) is 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide is C[C@H](N)C(=O)NC(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide?
The InChIKey is AQBGREZJIWCLKK-ZBHICJROSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-5(10)8(14)12-6(7(11)13)9(2,3)4/h5-6H,10H2,1-4H3,(H2,11,13)(H,12,14)/t5-,6?/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide?
2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide has a molecular weight of 201.27 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 119320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).