(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid

C16H21NO4 — CID 14510026

IUPAC(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyCUSYTUPJAYLNFQ-CQSZACIVSA-N
MW291.35 g/mol
LogP2.95
Rot. Bonds5

About (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid

(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 14510026) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID14510026
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyCUSYTUPJAYLNFQ-CQSZACIVSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid (CID 14510026) is (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)C1CCCCC1)OCc1ccccc1.
What is the InChIKey of (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is CUSYTUPJAYLNFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid?
(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 14510026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).