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

C15H18N2O7 — CID 120677851

IUPACcis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O7/c1-23-13-7-11(4-5-12(13)17(21)22)24-8-14(18)16-10-3-2-9(6-10)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyUHTRDOXJJJYAJP-ZJUUUORDSA-N
MW338.32 g/mol
LogP1.35
Rot. Bonds7

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

cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677851) has the molecular formula C15H18N2O7 and a molecular weight of 338.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677851
Molecular FormulaC15H18N2O7
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Namecis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O7/c1-23-13-7-11(4-5-12(13)17(21)22)24-8-14(18)16-10-3-2-9(6-10)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyUHTRDOXJJJYAJP-ZJUUUORDSA-N
XLogP1.35
TPSA128.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849
cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677969
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride
CID 119602142
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120677851) is cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is COc1cc(OCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UHTRDOXJJJYAJP-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18N2O7/c1-23-13-7-11(4-5-12(13)17(21)22)24-8-14(18)16-10-3-2-9(6-10)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 338.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).