(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid

C15H28N2O3 — CID 107146309

IUPAC(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NC1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-5-8-11(13(18)19)16-14(20)17-12-9-6-7-10-15(12,2)3/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-,12?/m0/s1
InChIKeyYLZPHXVAYLIZEC-PXYINDEMSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds6

About (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid

(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid (PubChem CID 107146309) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
PubChem CID107146309
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NC1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-5-8-11(13(18)19)16-14(20)17-12-9-6-7-10-15(12,2)3/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-,12?/m0/s1
InChIKeyYLZPHXVAYLIZEC-PXYINDEMSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
CID 103256663
2-(thian-3-ylcarbamoylamino)hexanoic acid
CID 113364262
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]hexanoic acid
CID 107146447
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 107146287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid (CID 107146309) is (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)NC1CCCCC1(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
The InChIKey is YLZPHXVAYLIZEC-PXYINDEMSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-8-11(13(18)19)16-14(20)17-12-9-6-7-10-15(12,2)3/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid?
(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 107146309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).