2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid

C15H19NO4 — CID 165486263

IUPAC2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c17-14(18)9-12-6-7-13(8-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKeyBTWOPOUKYHMIAT-OLZOCXBDSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds5

About 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid

2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid (PubChem CID 165486263) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
PubChem CID165486263
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c17-14(18)9-12-6-7-13(8-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKeyBTWOPOUKYHMIAT-OLZOCXBDSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
sodium [(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]methanesulfinate
CID 165455374
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
2-[(2S,4S)-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid
CID 159355657
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
CID 86744910
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid (CID 165486263) is 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid is O=C(O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid?
The InChIKey is BTWOPOUKYHMIAT-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)9-12-6-7-13(8-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid?
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 165486263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).