trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid

C15H19NO5 — CID 90661612

IUPACtrans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(CC[C@@](N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO5/c1-21-10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)/t11-,12-,15-/m0/s1
InChIKeyIRMXEKLCWFUGDP-HUBLWGQQSA-N
MW293.32 g/mol
LogP1.13
Rot. Bonds7

About trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 90661612) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID90661612
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nametrans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(CC[C@@](N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO5/c1-21-10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)/t11-,12-,15-/m0/s1
InChIKeyIRMXEKLCWFUGDP-HUBLWGQQSA-N
XLogP1.13
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-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-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 23211203
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
2-amino-4-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylbutanoic acid
CID 22250945
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
1-[2-(3-methoxyphenyl)ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2-carboxylic acid
CID 123809162
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
CID 62739211
2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
CID 175477899
2-[2-amino-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-oxoacetic acid
CID 89323450
(3-methoxyphenyl)methyl (3S,4S)-4-methylpyrrolidine-3-carboxylate
CID 98541212

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid (CID 90661612) is trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid is COc1cccc(CC[C@@](N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c1.
What is the InChIKey of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is IRMXEKLCWFUGDP-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H19NO5/c1-21-10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)/t11-,12-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1S)-1-amino-1-carboxy-3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 90661612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).