cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C16H21NO5 — CID 120677969

IUPACcis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1C
InChIInChI=1S/C16H21NO5/c1-10-7-13(5-6-14(10)21-2)22-9-15(18)17-12-4-3-11(8-12)16(19)20/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,17,18)(H,19,20)/t11-,12+/m1/s1
InChIKeyAJGMTUKRGGABST-NEPJUHHUSA-N
MW307.35 g/mol
LogP1.75
Rot. Bonds6

About cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677969) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677969
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namecis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1C
InChIInChI=1S/C16H21NO5/c1-10-7-13(5-6-14(10)21-2)22-9-15(18)17-12-4-3-11(8-12)16(19)20/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,17,18)(H,19,20)/t11-,12+/m1/s1
InChIKeyAJGMTUKRGGABST-NEPJUHHUSA-N
XLogP1.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677851
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117682
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120677969) is cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is COc1ccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1C.
What is the InChIKey of cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AJGMTUKRGGABST-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H21NO5/c1-10-7-13(5-6-14(10)21-2)22-9-15(18)17-12-4-3-11(8-12)16(19)20/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,17,18)(H,19,20)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).