(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid

C15H28N2O3 — CID 107567415

IUPAC(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCCCC1C(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-13(14(18)19)17-15(20)16-12-9-6-5-8-11(12)10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)/t11?,12?,13-/m0/s1
InChIKeyDAWAVBSMHAORGP-BPCQOVAHSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds6

About (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid

(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid (PubChem CID 107567415) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
PubChem CID107567415
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCCCC1C(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-13(14(18)19)17-15(20)16-12-9-6-5-8-11(12)10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)/t11?,12?,13-/m0/s1
InChIKeyDAWAVBSMHAORGP-BPCQOVAHSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
CID 107566553
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212
1-butyl-3-(2-propan-2-ylcyclohexyl)urea
CID 115610978
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid (CID 107567415) is (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NC1CCCCC1C(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid?
The InChIKey is DAWAVBSMHAORGP-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-13(14(18)19)17-15(20)16-12-9-6-5-8-11(12)10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid?
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107567415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).