(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide

C10H17N3O — CID 79100766

IUPAC(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nn1cccc1
InChIInChI=1S/C10H17N3O/c1-3-8(2)9(11)10(14)12-13-6-4-5-7-13/h4-9H,3,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyZEOMLFXPVZYAEW-GKAPJAKFSA-N
MW195.27 g/mol
LogP0.93
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide

(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide (PubChem CID 79100766) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
PubChem CID79100766
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nn1cccc1
InChIInChI=1S/C10H17N3O/c1-3-8(2)9(11)10(14)12-13-6-4-5-7-13/h4-9H,3,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyZEOMLFXPVZYAEW-GKAPJAKFSA-N
XLogP0.93
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-pyrrol-1-ylbutanamide
CID 79101391
2-amino-N-pyrrol-1-ylpropanamide
CID 19973193
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
2-bromo-N-pyrrol-1-ylpropanamide
CID 107905429
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
CID 83017050
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid
CID 139812366
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
(2S,3S)-2-amino-N',N',3-trimethylpentanehydrazide
CID 83021185
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
CID 119782695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide (CID 79100766) is (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide is CCC(C)[C@H](N)C(=O)Nn1cccc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide?
The InChIKey is ZEOMLFXPVZYAEW-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-8(2)9(11)10(14)12-13-6-4-5-7-13/h4-9H,3,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide?
(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide has a molecular weight of 195.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide is sourced from PubChem (CID 79100766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).