1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid

C15H28N2O3 — CID 103870909

IUPAC1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)[C@H](N)CC(C)C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-11-5-7-15(8-6-11,14(19)20)17-13(18)12(16)9-10(2)3/h10-12H,4-9,16H2,1-3H3,(H,17,18)(H,19,20)/t11?,12-,15?/m1/s1
InChIKeyVKBVXBDKLIFIPD-MQYJIDSJSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds6

About 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid

1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 103870909) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID103870909
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)[C@H](N)CC(C)C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-11-5-7-15(8-6-11,14(19)20)17-13(18)12(16)9-10(2)3/h10-12H,4-9,16H2,1-3H3,(H,17,18)(H,19,20)/t11?,12-,15?/m1/s1
InChIKeyVKBVXBDKLIFIPD-MQYJIDSJSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61160800
4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 43163264
4-ethyl-1-(4-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61197269
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[2-(oxan-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120688305
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
CID 62838707
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid (CID 103870909) is 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)[C@H](N)CC(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is VKBVXBDKLIFIPD-MQYJIDSJSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-11-5-7-15(8-6-11,14(19)20)17-13(18)12(16)9-10(2)3/h10-12H,4-9,16H2,1-3H3,(H,17,18)(H,19,20)/t11?,12-,15?/m1/s1.
What are the key properties of 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 103870909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).