methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate

C19H28N2O4 — CID 66684480

IUPACmethyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
SMILESCOC(=O)CNC[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-24-18(22)13-20-12-17(16-10-6-3-7-11-16)21-19(23)25-14-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,20H,3,6-7,10-14H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyQEYKFQZQBUCFMR-QGZVFWFLSA-N
MW348.44 g/mol
LogP2.62
Rot. Bonds8

About methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate

methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate (PubChem CID 66684480) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
PubChem CID66684480
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
SMILESCOC(=O)CNC[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-24-18(22)13-20-12-17(16-10-6-3-7-11-16)21-19(23)25-14-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,20H,3,6-7,10-14H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyQEYKFQZQBUCFMR-QGZVFWFLSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate with MolForge

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Related Compounds

(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
CID 59178384
benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
CID 102392968
3-(3-methylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103695947
tert-butyl (4S)-4-cycloheptyl-3-oxo-4-(phenylmethoxycarbonylamino)butanoate
CID 170598552
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
(2,5-dioxopyrrolidin-1-yl) (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
CID 154815014
[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-(2-methoxy-2-oxoethyl)phosphinic acid
CID 70426731
methyl (2S)-1-[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 154984761
3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 22309390
(3S)-3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 93481104

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate (CID 66684480) is methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate is COC(=O)CNC[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate?
The InChIKey is QEYKFQZQBUCFMR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-18(22)13-20-12-17(16-10-6-3-7-11-16)21-19(23)25-14-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,20H,3,6-7,10-14H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate?
methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate has a molecular weight of 348.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate is sourced from PubChem (CID 66684480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).