2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid

C15H28N2O3 — CID 64916428

IUPAC2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)NC1CCC(CC)C1C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-9(3)13(14(18)19)17-15(20)16-12-8-7-11(6-2)10(12)4/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyAYYPQQWGRZUJNP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds6

About 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid (PubChem CID 64916428) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
PubChem CID64916428
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)NC1CCC(CC)C1C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-9(3)13(14(18)19)17-15(20)16-12-8-7-11(6-2)10(12)4/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyAYYPQQWGRZUJNP-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081091
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
CID 64915037
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 55033421
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80720622
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid (CID 64916428) is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid is CCC(C)C(NC(=O)NC1CCC(CC)C1C)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid?
The InChIKey is AYYPQQWGRZUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-9(3)13(14(18)19)17-15(20)16-12-8-7-11(6-2)10(12)4/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid?
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 64916428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).