3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide

C10H17N3O — CID 106384830

IUPAC3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCCC(N)CC(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H17N3O/c1-2-9(11)5-10(14)13-7-8-3-4-12-6-8/h3-4,6,9,12H,2,5,7,11H2,1H3,(H,13,14)
InChIKeyFPZDCKMDIHXPCF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide

3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide (PubChem CID 106384830) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
PubChem CID106384830
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCCC(N)CC(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H17N3O/c1-2-9(11)5-10(14)13-7-8-3-4-12-6-8/h3-4,6,9,12H,2,5,7,11H2,1H3,(H,13,14)
InChIKeyFPZDCKMDIHXPCF-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

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Related Compounds

3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
CID 106384758
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 115188874
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The IUPAC name of 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide (CID 106384830) is 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide.
What is the SMILES notation for 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The canonical SMILES for 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide is CCC(N)CC(=O)NCc1cc[nH]c1.
What is the InChIKey of 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The InChIKey is FPZDCKMDIHXPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9(11)5-10(14)13-7-8-3-4-12-6-8/h3-4,6,9,12H,2,5,7,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide?
3-amino-N-(1H-pyrrol-3-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 3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106384830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).