6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid

C15H29N3O3 — CID 65289906

IUPAC6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NC1CCCCC1N
InChIInChI=1S/C15H29N3O3/c1-10(14(19)20)6-5-7-11(2)17-15(21)18-13-9-4-3-8-12(13)16/h10-13H,3-9,16H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWCQVDNKAIYAHPM-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.84
Rot. Bonds7

About 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid

6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid (PubChem CID 65289906) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
PubChem CID65289906
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NC1CCCCC1N
InChIInChI=1S/C15H29N3O3/c1-10(14(19)20)6-5-7-11(2)17-15(21)18-13-9-4-3-8-12(13)16/h10-13H,3-9,16H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWCQVDNKAIYAHPM-UHFFFAOYSA-N
XLogP1.84
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
CID 65289434
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61408334
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
CID 65290228
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
3-[(2-aminocyclohexyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852844

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid (CID 65289906) is 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)NC1CCCCC1N.
What is the InChIKey of 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid?
The InChIKey is WCQVDNKAIYAHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(14(19)20)6-5-7-11(2)17-15(21)18-13-9-4-3-8-12(13)16/h10-13H,3-9,16H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid?
6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid has a molecular weight of 299.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid is sourced from PubChem (CID 65289906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).