cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid

C15H19NO4 — CID 120675538

IUPACcis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(COCc1ccccc1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c17-14(10-20-9-11-4-2-1-3-5-11)16-13-7-6-12(8-13)15(18)19/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyAFSDUSFXKUMSMS-QWHCGFSZSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds6

About cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675538) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675538
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(COCc1ccccc1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c17-14(10-20-9-11-4-2-1-3-5-11)16-13-7-6-12(8-13)15(18)19/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyAFSDUSFXKUMSMS-QWHCGFSZSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676768
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylmethoxyacetamide;hydrochloride
CID 119457057
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762
cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675430
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031331
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid (CID 120675538) is cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid is O=C(COCc1ccccc1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AFSDUSFXKUMSMS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(10-20-9-11-4-2-1-3-5-11)16-13-7-6-12(8-13)15(18)19/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).