(2S)-2-amino-N-pyrrol-1-ylbutanamide

C8H13N3O — CID 79101391

IUPAC(2S)-2-amino-N-pyrrol-1-ylbutanamide
SMILESCC[C@H](N)C(=O)Nn1cccc1
InChIInChI=1S/C8H13N3O/c1-2-7(9)8(12)10-11-5-3-4-6-11/h3-7H,2,9H2,1H3,(H,10,12)/t7-/m0/s1
InChIKeyBIPUBLAHILBJNL-ZETCQYMHSA-N
MW167.21 g/mol
LogP0.30
Rot. Bonds3

About (2S)-2-amino-N-pyrrol-1-ylbutanamide

(2S)-2-amino-N-pyrrol-1-ylbutanamide (PubChem CID 79101391) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2S)-2-amino-N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-pyrrol-1-ylbutanamide
PubChem CID79101391
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-amino-N-pyrrol-1-ylbutanamide
SMILESCC[C@H](N)C(=O)Nn1cccc1
InChIInChI=1S/C8H13N3O/c1-2-7(9)8(12)10-11-5-3-4-6-11/h3-7H,2,9H2,1H3,(H,10,12)/t7-/m0/s1
InChIKeyBIPUBLAHILBJNL-ZETCQYMHSA-N
XLogP0.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
CID 79100766
2-amino-N-pyrrol-1-ylpropanamide
CID 19973193
2-bromo-N-pyrrol-1-ylpropanamide
CID 107905429
(2R)-2-amino-N-methylbutanamide
CID 14888796
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-(pyrrol-1-ylamino)butanoic acid
CID 69472808
ethyl 2-(pyrrol-1-ylamino)pentanoate
CID 83041117
2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide
CID 79101494
(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
CID 104874097
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
2-amino-N-methylsulfonylbutanamide
CID 103287489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-pyrrol-1-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-pyrrol-1-ylbutanamide (CID 79101391) is (2S)-2-amino-N-pyrrol-1-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-pyrrol-1-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-pyrrol-1-ylbutanamide is CC[C@H](N)C(=O)Nn1cccc1.
What is the InChIKey of (2S)-2-amino-N-pyrrol-1-ylbutanamide?
The InChIKey is BIPUBLAHILBJNL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(9)8(12)10-11-5-3-4-6-11/h3-7H,2,9H2,1H3,(H,10,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-pyrrol-1-ylbutanamide?
(2S)-2-amino-N-pyrrol-1-ylbutanamide has a molecular weight of 167.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 79101391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).