benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate

C21H23NO4 — CID 139650807

IUPACbenzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@H](CC1CC1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H23NO4/c23-20(25-14-17-7-3-1-4-8-17)19(13-16-11-12-16)22-21(24)26-15-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,22,24)/t19-/m1/s1
InChIKeyYUIJRXAGNJMOAV-LJQANCHMSA-N
MW353.42 g/mol
LogP3.82
Rot. Bonds8

About benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate

benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 139650807) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID139650807
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namebenzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@H](CC1CC1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H23NO4/c23-20(25-14-17-7-3-1-4-8-17)19(13-16-11-12-16)22-21(24)26-15-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,22,24)/t19-/m1/s1
InChIKeyYUIJRXAGNJMOAV-LJQANCHMSA-N
XLogP3.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
(2S)-3-cyclopropyl-1-oxo-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 58363617
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl (2S)-3-cyclohexyl-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 59709687
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083
4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
CID 69295761
benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate
CID 10671348
methyl 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 67247253
(2S)-3-(3,3-difluorocyclobutyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129353954
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate (CID 139650807) is benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate is O=C(N[C@H](CC1CC1)C(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is YUIJRXAGNJMOAV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(25-14-17-7-3-1-4-8-17)19(13-16-11-12-16)22-21(24)26-15-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,22,24)/t19-/m1/s1.
What are the key properties of benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate?
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 353.42 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 139650807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).