2-(cyclohexylmethoxycarbonylamino)acetic acid

C10H17NO4 — CID 66620693

IUPAC2-(cyclohexylmethoxycarbonylamino)acetic acid
SMILESO=C(O)CNC(=O)OCC1CCCCC1
InChIInChI=1S/C10H17NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)(H,12,13)
InChIKeyCNMQSHFVNOQLCO-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.38
Rot. Bonds4

About 2-(cyclohexylmethoxycarbonylamino)acetic acid

2-(cyclohexylmethoxycarbonylamino)acetic acid (PubChem CID 66620693) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(cyclohexylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylmethoxycarbonylamino)acetic acid
PubChem CID66620693
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(cyclohexylmethoxycarbonylamino)acetic acid
SMILESO=C(O)CNC(=O)OCC1CCCCC1
InChIInChI=1S/C10H17NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)(H,12,13)
InChIKeyCNMQSHFVNOQLCO-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptylmethyl N-methylcarbamate
CID 57322822
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate
CID 140551041
cyclohexylmethyl 2-oxoacetate
CID 174782114
4-(cyclohexylmethoxy)-3,3-dimethyl-4-oxobutanoic acid
CID 54253433
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(cyclohexylmethoxycarbonylamino)acetic acid (CID 66620693) is 2-(cyclohexylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(cyclohexylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(cyclohexylmethoxycarbonylamino)acetic acid is O=C(O)CNC(=O)OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxycarbonylamino)acetic acid?
The InChIKey is CNMQSHFVNOQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)(H,12,13).
What are the key properties of 2-(cyclohexylmethoxycarbonylamino)acetic acid?
2-(cyclohexylmethoxycarbonylamino)acetic acid has a molecular weight of 215.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 66620693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).