(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid

C15H21NO3 — CID 129466617

IUPAC(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12)C1CC1
InChIInChI=1S/C15H21NO3/c1-7(15(18)19)16(10-4-5-10)14(17)13-11-8-2-3-9(6-8)12(11)13/h7-13H,2-6H2,1H3,(H,18,19)/t7-,8-,9-,11-,12+,13?/m0/s1
InChIKeyPUUIMGXOYRABKK-VKBLAUGASA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds4

About (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid

(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid (PubChem CID 129466617) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid
PubChem CID129466617
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12)C1CC1
InChIInChI=1S/C15H21NO3/c1-7(15(18)19)16(10-4-5-10)14(17)13-11-8-2-3-9(6-8)12(11)13/h7-13H,2-6H2,1H3,(H,18,19)/t7-,8-,9-,11-,12+,13?/m0/s1
InChIKeyPUUIMGXOYRABKK-VKBLAUGASA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic 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-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid
CID 119203340
2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
CID 114096749
bicyclo[2.1.0]pentane;2-methylpropanoic acid
CID 174730987
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
CID 103925583
N-cyclobutyl-N-(2-hydroxyethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102685011
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119203133
2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
CID 103925589
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097196
2-[propyl-[(1R,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99851542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid (CID 129466617) is (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid is C[C@@H](C(=O)O)N(C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12)C1CC1.
What is the InChIKey of (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid?
The InChIKey is PUUIMGXOYRABKK-VKBLAUGASA-N. The full InChI is InChI=1S/C15H21NO3/c1-7(15(18)19)16(10-4-5-10)14(17)13-11-8-2-3-9(6-8)12(11)13/h7-13H,2-6H2,1H3,(H,18,19)/t7-,8-,9-,11-,12+,13?/m0/s1.
What are the key properties of (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid?
(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 129466617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).