2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid

C12H22N2O4 — CID 61213080

IUPAC2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC(OC)CN1
InChIInChI=1S/C12H22N2O4/c1-4-8(2)14(7-11(15)16)12(17)10-5-9(18-3)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyGZUQXAOJKBBRBS-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds6

About 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid

2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid (PubChem CID 61213080) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid
PubChem CID61213080
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC(OC)CN1
InChIInChI=1S/C12H22N2O4/c1-4-8(2)14(7-11(15)16)12(17)10-5-9(18-3)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyGZUQXAOJKBBRBS-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61214612
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262
N-cyclopentyl-N-ethyl-4-methoxypyrrolidine-2-carboxamide
CID 61213590
N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide
CID 61213070
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63716507
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751
2-[butan-2-yl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60828880
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
CID 113318991

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid (CID 61213080) is 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1CC(OC)CN1.
What is the InChIKey of 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid?
The InChIKey is GZUQXAOJKBBRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-8(2)14(7-11(15)16)12(17)10-5-9(18-3)6-13-10/h8-10,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(4-methoxypyrrolidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 61213080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).