2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid

C14H22N2O3 — CID 63070679

IUPAC2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccn1C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)8-15(9-13(17)18)14(19)12-6-5-7-16(12)11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)
InChIKeyZPZUCDXLVLVKQC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.25
Rot. Bonds6

About 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid

2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid (PubChem CID 63070679) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid
PubChem CID63070679
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccn1C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)8-15(9-13(17)18)14(19)12-6-5-7-16(12)11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)
InChIKeyZPZUCDXLVLVKQC-UHFFFAOYSA-N
XLogP2.25
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
4-oxo-4-(1-propan-2-ylpyrrol-2-yl)butanoic acid
CID 84734291
N-(2-hydroxyethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60962059
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43639218
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032815
2-[(3-methyl-1-phenylpyrazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119193123
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64512089
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
CID 62033536

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid (CID 63070679) is 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1cccn1C(C)C.
What is the InChIKey of 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid?
The InChIKey is ZPZUCDXLVLVKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)8-15(9-13(17)18)14(19)12-6-5-7-16(12)11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 63070679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).