5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid

C12H19NO3 — CID 99851184

IUPAC5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)[C@H]1C[C@@H]1C1CC1
InChIInChI=1S/C12H19NO3/c14-11(15)3-1-2-6-13-12(16)10-7-9(10)8-4-5-8/h8-10H,1-7H2,(H,13,16)(H,14,15)/t9-,10+/m1/s1
InChIKeyNROVRJWVBIBZHY-ZJUUUORDSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds7

About 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid

5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid (PubChem CID 99851184) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
PubChem CID99851184
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)[C@H]1C[C@@H]1C1CC1
InChIInChI=1S/C12H19NO3/c14-11(15)3-1-2-6-13-12(16)10-7-9(10)8-4-5-8/h8-10H,1-7H2,(H,13,16)(H,14,15)/t9-,10+/m1/s1
InChIKeyNROVRJWVBIBZHY-ZJUUUORDSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
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

7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
CID 129436866
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
trans-(1S,2S)-2-cyclopropyl-N-[2-(propylamino)ethyl]cyclopropane-1-carboxamide
CID 99776434
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid
CID 102892142
5-(cyclopent-3-ene-1-carbonylamino)pentanoic acid
CID 64766388

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid (CID 99851184) is 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)[C@H]1C[C@@H]1C1CC1.
What is the InChIKey of 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid?
The InChIKey is NROVRJWVBIBZHY-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(15)3-1-2-6-13-12(16)10-7-9(10)8-4-5-8/h8-10H,1-7H2,(H,13,16)(H,14,15)/t9-,10+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid?
5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 99851184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).