2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid

C11H20N2O3 — CID 103869277

IUPAC2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-8(2)6-13(7-10(14)15)11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyLXSJQEWZNOKSMK-SECBINFHSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds5

About 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid

2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 103869277) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID103869277
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-8(2)6-13(7-10(14)15)11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyLXSJQEWZNOKSMK-SECBINFHSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54871879
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
CID 63072039
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 103797895
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid (CID 103869277) is 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)[C@H]1CCCN1.
What is the InChIKey of 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is LXSJQEWZNOKSMK-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)6-13(7-10(14)15)11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid?
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 103869277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).