methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate

C19H26N2O5 — CID 154295124

IUPACmethyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1(C)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-18(10-6-7-11-19(18,20)16(23)25-2)15(22)12-21-17(24)26-13-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13,20H2,1-2H3,(H,21,24)
InChIKeyIYZUIVYWMXEZGZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.93
Rot. Bonds6

About methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate

methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate (PubChem CID 154295124) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate
PubChem CID154295124
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1(C)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-18(10-6-7-11-19(18,20)16(23)25-2)15(22)12-21-17(24)26-13-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13,20H2,1-2H3,(H,21,24)
InChIKeyIYZUIVYWMXEZGZ-UHFFFAOYSA-N
XLogP1.93
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 76746304
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
(2R)-1-ethyl-2-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 68851576
(2R)-1,2-dimethyl-2-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidin-1-ium-1-carboxylic acid
CID 57050017
methyl (2S)-2-ethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 67272370
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
1-[[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclopropane-1-carboxylic acid
CID 169041659
methyl 1-amino-3-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
CID 117272482
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate (CID 154295124) is methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate is COC(=O)C1(N)CCCCC1(C)C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate?
The InChIKey is IYZUIVYWMXEZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-18(10-6-7-11-19(18,20)16(23)25-2)15(22)12-21-17(24)26-13-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13,20H2,1-2H3,(H,21,24).
What are the key properties of methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate?
methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 154295124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).