2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid

C11H19N3O4 — CID 106191614

IUPAC2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c1-11(2,3)14(6-9(16)17)10(18)13-7-4-8(15)12-5-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyQUOBIZKKKOLOIZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds3

About 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 106191614) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID106191614
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c1-11(2,3)14(6-9(16)17)10(18)13-7-4-8(15)12-5-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyQUOBIZKKKOLOIZ-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79257016
2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 106191674
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191651
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79256698
2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
CID 79257337
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
3-[tert-butyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 83191685
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
CID 106189408
2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549087
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid (CID 106191614) is 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is QUOBIZKKKOLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2,3)14(6-9(16)17)10(18)13-7-4-8(15)12-5-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 106191614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).