cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

C16H21NO4 — CID 171836039

IUPACcyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1
InChIInChI=1S/C16H21NO4/c1-12(15(18)21-14-9-5-6-10-14)17-16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyHBNJOXXNGXFABQ-LBPRGKRZSA-N
MW291.35 g/mol
LogP2.79
Rot. Bonds5

About cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 171836039) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID171836039
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namecyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1
InChIInChI=1S/C16H21NO4/c1-12(15(18)21-14-9-5-6-10-14)17-16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyHBNJOXXNGXFABQ-LBPRGKRZSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 131632935
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
pyrrolidin-1-yl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 67865153
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate (CID 171836039) is cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate is C[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is HBNJOXXNGXFABQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(15(18)21-14-9-5-6-10-14)17-16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate?
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 291.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 171836039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).