4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide

C10H17N3O — CID 115156710

IUPAC4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
SMILESCC(N)CCC(=O)NCc1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-8(11)4-5-10(14)13-7-9-3-2-6-12-9/h2-3,6,8,12H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyJHDNHKOZTOPWEV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.76
Rot. Bonds5

About 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide

4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide (PubChem CID 115156710) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
PubChem CID115156710
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
SMILESCC(N)CCC(=O)NCc1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-8(11)4-5-10(14)13-7-9-3-2-6-12-9/h2-3,6,8,12H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyJHDNHKOZTOPWEV-UHFFFAOYSA-N
XLogP0.76
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-oxo-4-(1H-pyrrol-2-ylmethylamino)butanoic acid
CID 115181073
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide?
The IUPAC name of 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide (CID 115156710) is 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide.
What is the SMILES notation for 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide?
The canonical SMILES for 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide is CC(N)CCC(=O)NCc1ccc[nH]1.
What is the InChIKey of 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide?
The InChIKey is JHDNHKOZTOPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(11)4-5-10(14)13-7-9-3-2-6-12-9/h2-3,6,8,12H,4-5,7,11H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide?
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide has a molecular weight of 195.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide is sourced from PubChem (CID 115156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).