(2S)-2-amino-N-pentan-3-ylpropanamide

C8H18N2O — CID 14333664

IUPAC(2S)-2-amino-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)[C@H](C)N
InChIInChI=1S/C8H18N2O/c1-4-7(5-2)10-8(11)6(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyYDHQFSNHQIBAHX-LURJTMIESA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds4

About (2S)-2-amino-N-pentan-3-ylpropanamide

(2S)-2-amino-N-pentan-3-ylpropanamide (PubChem CID 14333664) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-amino-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-pentan-3-ylpropanamide
PubChem CID14333664
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)[C@H](C)N
InChIInChI=1S/C8H18N2O/c1-4-7(5-2)10-8(11)6(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyYDHQFSNHQIBAHX-LURJTMIESA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-cyanobutan-2-yl)propanamide
CID 62647087
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
(3R,4R,5R)-3-[[(2S)-2-aminopropanoyl]amino]-4,5-dimethylheptanoic acid
CID 87609587
1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
CID 11820419
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-pentan-3-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-pentan-3-ylpropanamide (CID 14333664) is (2S)-2-amino-N-pentan-3-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-pentan-3-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-pentan-3-ylpropanamide?
The InChIKey is YDHQFSNHQIBAHX-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-7(5-2)10-8(11)6(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-pentan-3-ylpropanamide?
(2S)-2-amino-N-pentan-3-ylpropanamide has a molecular weight of 158.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-pentan-3-ylpropanamide is sourced from PubChem (CID 14333664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).