N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide

C8H12N4O3 — CID 104873145

IUPACN-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide
SMILESC[C@H](CN)NC(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H12N4O3/c1-5(4-9)10-8(13)6-2-3-7(11-6)12(14)15/h2-3,5,11H,4,9H2,1H3,(H,10,13)/t5-/m1/s1
InChIKeyGZUSQADWZLQCTI-RXMQYKEDSA-N
MW212.21 g/mol
LogP-0.00
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide

N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide (PubChem CID 104873145) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide
PubChem CID104873145
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide
SMILESC[C@H](CN)NC(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H12N4O3/c1-5(4-9)10-8(13)6-2-3-7(11-6)12(14)15/h2-3,5,11H,4,9H2,1H3,(H,10,13)/t5-/m1/s1
InChIKeyGZUSQADWZLQCTI-RXMQYKEDSA-N
XLogP-0.00
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.00
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

(2R)-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoic acid
CID 28741305
2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630230
N-(2-aminoethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60964878
N-hex-1-yn-3-yl-5-nitro-1H-pyrrole-2-carboxamide
CID 103528951
4-amino-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 43208890
(2S)-4-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 107822431
N-(3-chlorobutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 114301740
N-(1-chloro-3-methoxypropan-2-yl)-5-nitro-1H-pyrrole-2-carboxamide
CID 106182844
5-methoxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 81076568
N-[2-(ethylamino)ethyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 62658586
N-(1-chloro-3-phenylpropan-2-yl)-5-nitro-1H-pyrrole-2-carboxamide
CID 114300304
N-[(2S)-1-aminopropan-2-yl]-5-fluoro-2-nitrobenzamide
CID 120505682

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide (CID 104873145) is N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide is C[C@H](CN)NC(=O)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is GZUSQADWZLQCTI-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5(4-9)10-8(13)6-2-3-7(11-6)12(14)15/h2-3,5,11H,4,9H2,1H3,(H,10,13)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 104873145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).