(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid

C14H17NO4 — CID 68786469

IUPAC(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)O
InChIInChI=1S/C14H17NO4/c16-13(19-10-11-6-2-1-3-7-11)12-8-4-5-9-15(12)14(17)18/h1-3,6-7,12H,4-5,8-10H2,(H,17,18)/t12-/m0/s1
InChIKeyNJNCQZDPWJSPLN-LBPRGKRZSA-N
MW263.29 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid

(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid (PubChem CID 68786469) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
PubChem CID68786469
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)O
InChIInChI=1S/C14H17NO4/c16-13(19-10-11-6-2-1-3-7-11)12-8-4-5-9-15(12)14(17)18/h1-3,6-7,12H,4-5,8-10H2,(H,17,18)/t12-/m0/s1
InChIKeyNJNCQZDPWJSPLN-LBPRGKRZSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
CID 175383774
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754
benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
CID 170991850
benzyl (2S)-1-[(2S)-1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54563213
benzyl (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 13391124
benzyl 1-[2-(tert-butylamino)-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 139619480
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid (CID 68786469) is (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid is O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)O.
What is the InChIKey of (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid?
The InChIKey is NJNCQZDPWJSPLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(19-10-11-6-2-1-3-7-11)12-8-4-5-9-15(12)14(17)18/h1-3,6-7,12H,4-5,8-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid?
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68786469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).