5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid

C16H21NO3 — CID 99849422

IUPAC5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
SMILESCc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCCC(=O)O
InChIInChI=1S/C16H21NO3/c1-11-6-2-3-7-12(11)13-10-14(13)16(20)17-9-5-4-8-15(18)19/h2-3,6-7,13-14H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)/t13-,14+/m1/s1
InChIKeyWIULGIDTMKKTRD-KGLIPLIRSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds7

About 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid

5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid (PubChem CID 99849422) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
PubChem CID99849422
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
SMILESCc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCCC(=O)O
InChIInChI=1S/C16H21NO3/c1-11-6-2-3-7-12(11)13-10-14(13)16(20)17-9-5-4-8-15(18)19/h2-3,6-7,13-14H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)/t13-,14+/m1/s1
InChIKeyWIULGIDTMKKTRD-KGLIPLIRSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
trans-(1S,2S)-2-(2-methylphenyl)-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]cyclopropane-1-carboxamide
CID 136807910
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227195
N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119642864
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 111450735
methyl 6-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoate
CID 86914458
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid (CID 99849422) is 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid is Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The InChIKey is WIULGIDTMKKTRD-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-6-2-3-7-12(11)13-10-14(13)16(20)17-9-5-4-8-15(18)19/h2-3,6-7,13-14H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)/t13-,14+/m1/s1.
What are the key properties of 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid?
5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 99849422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).