methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate

C14H26N2O3 — CID 64823561

IUPACmethyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)C1CCCCC1N)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-9(2)12(14(18)19-3)16-13(17)10-7-5-6-8-11(10)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyNBZZBWVKCHYVOH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.21
Rot. Bonds5

About methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate

methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate (PubChem CID 64823561) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
PubChem CID64823561
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)C1CCCCC1N)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-9(2)12(14(18)19-3)16-13(17)10-7-5-6-8-11(10)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyNBZZBWVKCHYVOH-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162
2-amino-N-pent-1-yn-3-ylcycloheptane-1-carboxamide
CID 106230271
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944751
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate (CID 64823561) is methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)C1CCCCC1N)C(=O)OC.
What is the InChIKey of methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate?
The InChIKey is NBZZBWVKCHYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9(2)12(14(18)19-3)16-13(17)10-7-5-6-8-11(10)15/h9-12H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate?
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate has a molecular weight of 270.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 64823561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).