methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate

C19H34N2O3 — CID 171080468

IUPACmethyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
SMILESCOC(=O)C(CC1CCCCC1)NC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-24-19(23)17(13-15-10-6-3-7-11-15)21-18(22)16(20)12-14-8-4-2-5-9-14/h14-17H,2-13,20H2,1H3,(H,21,22)
InChIKeyGPHOUZGFBNMGCX-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.91
Rot. Bonds7

About methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate

methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate (PubChem CID 171080468) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
PubChem CID171080468
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Namemethyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
SMILESCOC(=O)C(CC1CCCCC1)NC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-24-19(23)17(13-15-10-6-3-7-11-15)21-18(22)16(20)12-14-8-4-2-5-9-14/h14-17H,2-13,20H2,1H3,(H,21,22)
InChIKeyGPHOUZGFBNMGCX-UHFFFAOYSA-N
XLogP2.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate with MolForge

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Related Compounds

methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
methyl (2R)-2-[[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-cyclohexylpropanoate
CID 10811693
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
(3S)-3-amino-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 22822514
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-hydroxypropanoate
CID 126679555
methyl (2S,4S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-4-formyl-6-(methylamino)hexanoate
CID 170007664
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
ethyl (2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-cyclopentylpropanoate
CID 157337378
3-amino-4-cyclohexylbutan-2-one
CID 20668322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate?
The IUPAC name of methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate (CID 171080468) is methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate.
What is the SMILES notation for methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate?
The canonical SMILES for methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate is COC(=O)C(CC1CCCCC1)NC(=O)C(N)CC1CCCCC1.
What is the InChIKey of methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate?
The InChIKey is GPHOUZGFBNMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-24-19(23)17(13-15-10-6-3-7-11-15)21-18(22)16(20)12-14-8-4-2-5-9-14/h14-17H,2-13,20H2,1H3,(H,21,22).
What are the key properties of methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate?
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate has a molecular weight of 338.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate is sourced from PubChem (CID 171080468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).