2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid

C13H23N3O4 — CID 106279068

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
SMILESCC(C)(CNC(=O)N(CC(=O)O)C1CCCC1)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,11(14)19)8-15-12(20)16(7-10(17)18)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyFTZZLBWJFAXNAM-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds6

About 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid

2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid (PubChem CID 106279068) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
PubChem CID106279068
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
SMILESCC(C)(CNC(=O)N(CC(=O)O)C1CCCC1)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,11(14)19)8-15-12(20)16(7-10(17)18)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyFTZZLBWJFAXNAM-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308124
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61188941
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
CID 62693564
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid (CID 106279068) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid is CC(C)(CNC(=O)N(CC(=O)O)C1CCCC1)C(N)=O.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid?
The InChIKey is FTZZLBWJFAXNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,11(14)19)8-15-12(20)16(7-10(17)18)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 106279068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).