(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid

C14H18N2O5 — CID 175472031

IUPAC(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
SMILESO=C(NC1C[C@H](CO)N(C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C14H18N2O5/c17-8-12-6-11(7-16(12)14(19)20)15-13(18)21-9-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,18)(H,19,20)/t11?,12-/m1/s1
InChIKeyDFIMJADHTWZBLS-PIJUOVFKSA-N
MW294.31 g/mol
LogP1.03
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid

(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid (PubChem CID 175472031) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
PubChem CID175472031
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
SMILESO=C(NC1C[C@H](CO)N(C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C14H18N2O5/c17-8-12-6-11(7-16(12)14(19)20)15-13(18)21-9-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,18)(H,19,20)/t11?,12-/m1/s1
InChIKeyDFIMJADHTWZBLS-PIJUOVFKSA-N
XLogP1.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 155234319
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112545077
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid (CID 175472031) is (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid is O=C(NC1C[C@H](CO)N(C(=O)O)C1)OCc1ccccc1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid?
The InChIKey is DFIMJADHTWZBLS-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-8-12-6-11(7-16(12)14(19)20)15-13(18)21-9-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,18)(H,19,20)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid?
(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175472031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).