2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid

C10H13N3O5 — CID 43630230

IUPAC2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-3-7(10(15)16)12-9(14)6-4-5-8(11-6)13(17)18/h4-5,7,11H,2-3H2,1H3,(H,12,14)(H,15,16)
InChIKeyCHIMCUBQUKAUTK-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.91
Rot. Bonds6

About 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid

2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid (PubChem CID 43630230) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
PubChem CID43630230
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-3-7(10(15)16)12-9(14)6-4-5-8(11-6)13(17)18/h4-5,7,11H,2-3H2,1H3,(H,12,14)(H,15,16)
InChIKeyCHIMCUBQUKAUTK-UHFFFAOYSA-N
XLogP0.91
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 107822431
5-methoxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 81076568
4-amino-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 43208890
(2R)-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoic acid
CID 28741305
N-hex-1-yn-3-yl-5-nitro-1H-pyrrole-2-carboxamide
CID 103528951
N-(3-chlorobutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 114301740
2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283862
N-(1-chloro-3-methoxypropan-2-yl)-5-nitro-1H-pyrrole-2-carboxamide
CID 106182844
N-(2-aminoethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60964878
(2S)-2-[(2-bromo-5-nitrobenzoyl)amino]pentanoic acid
CID 107564729
2-[(3-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 83767973
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630226

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid (CID 43630230) is 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)O.
What is the InChIKey of 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
The InChIKey is CHIMCUBQUKAUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-3-7(10(15)16)12-9(14)6-4-5-8(11-6)13(17)18/h4-5,7,11H,2-3H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid?
2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid has a molecular weight of 255.23 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).