2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid

C12H21N3O4 — CID 61465951

IUPAC2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
SMILESCNC(=O)C(C)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H21N3O4/c1-8(11(18)13-2)14-12(19)15(7-10(16)17)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyGSXASIBOAMDRLT-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds5

About 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid

2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid (PubChem CID 61465951) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
PubChem CID61465951
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
SMILESCNC(=O)C(C)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H21N3O4/c1-8(11(18)13-2)14-12(19)15(7-10(16)17)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyGSXASIBOAMDRLT-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]amino]acetic acid
CID 54984160
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CID 102907226
2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid
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2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
CID 62693564
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
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CID 54978439
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389276
2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61475485
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61188941

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid (CID 61465951) is 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid is CNC(=O)C(C)NC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
The InChIKey is GSXASIBOAMDRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(11(18)13-2)14-12(19)15(7-10(16)17)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid?
2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 61465951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).