2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid

C16H30N2O3 — CID 102907226

IUPAC2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
SMILESCC(C)C(CNC(=O)N(CC(=O)O)C1CCCC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)14(12(3)4)9-17-16(21)18(10-15(19)20)13-7-5-6-8-13/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyLHASKAFTSBOSBX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.95
Rot. Bonds7

About 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid (PubChem CID 102907226) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
PubChem CID102907226
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
SMILESCC(C)C(CNC(=O)N(CC(=O)O)C1CCCC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)14(12(3)4)9-17-16(21)18(10-15(19)20)13-7-5-6-8-13/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyLHASKAFTSBOSBX-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
CID 62693564
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 61465951
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
CID 79012295
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 61202141
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid (CID 102907226) is 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid is CC(C)C(CNC(=O)N(CC(=O)O)C1CCCC1)C(C)C.
What is the InChIKey of 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid?
The InChIKey is LHASKAFTSBOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)14(12(3)4)9-17-16(21)18(10-15(19)20)13-7-5-6-8-13/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 102907226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).