(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid

C14H26N2O3 — CID 79527272

IUPAC(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCC(CN)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)7-12(14(18)19)16-13(17)11-5-3-10(8-15)4-6-11/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyXZYLZGWHOBTYTD-HTAVTVPLSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds6

About (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid (PubChem CID 79527272) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
PubChem CID79527272
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCC(CN)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)7-12(14(18)19)16-13(17)11-5-3-10(8-15)4-6-11/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyXZYLZGWHOBTYTD-HTAVTVPLSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 79527189
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 126843797
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
(2R)-2-[[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 52994219
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
[(2S)-1-[[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexyl]methylamino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 44665030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid (CID 79527272) is (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C1CCC(CN)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid?
The InChIKey is XZYLZGWHOBTYTD-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)7-12(14(18)19)16-13(17)11-5-3-10(8-15)4-6-11/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 79527272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).