(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide

C7H13N3O — CID 62093737

IUPAC(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
SMILESCC(CC#N)NC(=O)[C@H](C)N
InChIInChI=1S/C7H13N3O/c1-5(3-4-8)10-7(11)6(2)9/h5-6H,3,9H2,1-2H3,(H,10,11)/t5?,6-/m0/s1
InChIKeySZZQTDIYTIXVQE-GDVGLLTNSA-N
MW155.20 g/mol
LogP-0.25
Rot. Bonds3

About (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide

(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide (PubChem CID 62093737) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
PubChem CID62093737
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
SMILESCC(CC#N)NC(=O)[C@H](C)N
InChIInChI=1S/C7H13N3O/c1-5(3-4-8)10-7(11)6(2)9/h5-6H,3,9H2,1-2H3,(H,10,11)/t5?,6-/m0/s1
InChIKeySZZQTDIYTIXVQE-GDVGLLTNSA-N
XLogP-0.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyanobutan-2-yl)propanamide
CID 62647087
4-(1-cyanopropan-2-ylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498239
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
CID 62475778
N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62094798
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
CID 62092806
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 115734652
2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
CID 115432472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide (CID 62093737) is (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide is CC(CC#N)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide?
The InChIKey is SZZQTDIYTIXVQE-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(3-4-8)10-7(11)6(2)9/h5-6H,3,9H2,1-2H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide?
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide is sourced from PubChem (CID 62093737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).