4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid

C10H19N3O3 — CID 81069884

IUPAC4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N1CCC(N)C1)CC(=O)O
InChIInChI=1S/C10H19N3O3/c1-7(4-9(14)15)5-12-10(16)13-3-2-8(11)6-13/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyLGSXZVURXKQQCK-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.16
Rot. Bonds4

About 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid

4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 81069884) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID81069884
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N1CCC(N)C1)CC(=O)O
InChIInChI=1S/C10H19N3O3/c1-7(4-9(14)15)5-12-10(16)13-3-2-8(11)6-13/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyLGSXZVURXKQQCK-UHFFFAOYSA-N
XLogP-0.16
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81071213
4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81072984
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
4-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 81067824
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 55029823
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
3-methyl-4-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 81070073
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 81069884) is 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid is CC(CNC(=O)N1CCC(N)C1)CC(=O)O.
What is the InChIKey of 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is LGSXZVURXKQQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(4-9(14)15)5-12-10(16)13-3-2-8(11)6-13/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 81069884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).