(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide

C16H25N3O — CID 61179793

IUPAC(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)10-15(17)16(20)18-13-6-5-7-14(11-13)19-8-3-4-9-19/h5-7,11-12,15H,3-4,8-10,17H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyFDEKRJBCDPNPHS-HNNXBMFYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 61179793) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID61179793
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)10-15(17)16(20)18-13-6-5-7-14(11-13)19-8-3-4-9-19/h5-7,11-12,15H,3-4,8-10,17H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyFDEKRJBCDPNPHS-HNNXBMFYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-methylpentanamide
CID 119870437
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119814666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide (CID 61179793) is (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is FDEKRJBCDPNPHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)10-15(17)16(20)18-13-6-5-7-14(11-13)19-8-3-4-9-19/h5-7,11-12,15H,3-4,8-10,17H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 275.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 61179793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).