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

C11H17NO3 — CID 81455937

IUPAC3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1C2CCCC21
InChIInChI=1S/C11H17NO3/c1-6(5-9(13)14)12-11(15)10-7-3-2-4-8(7)10/h6-8,10H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyPMOXGSPEDVPVKH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds4

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

3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid (PubChem CID 81455937) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
PubChem CID81455937
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1C2CCCC21
InChIInChI=1S/C11H17NO3/c1-6(5-9(13)14)12-11(15)10-7-3-2-4-8(7)10/h6-8,10H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyPMOXGSPEDVPVKH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66477795
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 127009504
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
(3S)-3-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 98271190
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193

Frequently Asked Questions

What is the IUPAC name of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid?
The IUPAC name of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid (CID 81455937) is 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid?
The canonical SMILES for 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1C2CCCC21.
What is the InChIKey of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid?
The InChIKey is PMOXGSPEDVPVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6(5-9(13)14)12-11(15)10-7-3-2-4-8(7)10/h6-8,10H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid?
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.01, 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)butanoic acid is sourced from PubChem (CID 81455937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).