3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid

C10H15NO3 — CID 81454952

IUPAC3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1C2CCCC21
InChIInChI=1S/C10H15NO3/c12-8(13)4-5-11-10(14)9-6-2-1-3-7(6)9/h6-7,9H,1-5H2,(H,11,14)(H,12,13)
InChIKeyMGJBGLMHALQUAS-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.62
Rot. Bonds4

About 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid

3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid (PubChem CID 81454952) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
PubChem CID81454952
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1C2CCCC21
InChIInChI=1S/C10H15NO3/c12-8(13)4-5-11-10(14)9-6-2-1-3-7(6)9/h6-7,9H,1-5H2,(H,11,14)(H,12,13)
InChIKeyMGJBGLMHALQUAS-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82993999
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644

Frequently Asked Questions

What is the IUPAC name of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid?
The IUPAC name of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid (CID 81454952) is 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid?
The canonical SMILES for 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid is O=C(O)CCNC(=O)C1C2CCCC21.
What is the InChIKey of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid?
The InChIKey is MGJBGLMHALQUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8(13)4-5-11-10(14)9-6-2-1-3-7(6)9/h6-7,9H,1-5H2,(H,11,14)(H,12,13).
What are the key properties of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid?
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid is sourced from PubChem (CID 81454952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).