[(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

C6H10N2O2 — CID 88898396

IUPAC[(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESO=C(O)NC1[C@H]2CCCN12
InChIInChI=1S/C6H10N2O2/c9-6(10)7-5-4-2-1-3-8(4)5/h4-5,7H,1-3H2,(H,9,10)/t4-,5?,8?/m1/s1
InChIKeyILYGYXOIYYLYJX-YLTAPMQJSA-N
MW142.16 g/mol
LogP0.06
Rot. Bonds1

About [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

[(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (PubChem CID 88898396) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.

Molecular Properties

Compound Name[(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
PubChem CID88898396
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name[(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESO=C(O)NC1[C@H]2CCCN12
InChIInChI=1S/C6H10N2O2/c9-6(10)7-5-4-2-1-3-8(4)5/h4-5,7H,1-3H2,(H,9,10)/t4-,5?,8?/m1/s1
InChIKeyILYGYXOIYYLYJX-YLTAPMQJSA-N
XLogP0.06
TPSA52.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
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CID 175120532
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
(1-cyclopropylpiperidin-3-yl)carbamic acid
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[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid
CID 138598293
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
[1-(9H-fluoren-9-yl)piperidin-3-yl]carbamic acid
CID 126674115
N-(1-cyclopentylpyrrolidin-2-yl)benzamide
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CID 141083733

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The IUPAC name of [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (CID 88898396) is [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.
What is the SMILES notation for [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The canonical SMILES for [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is O=C(O)NC1[C@H]2CCCN12.
What is the InChIKey of [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The InChIKey is ILYGYXOIYYLYJX-YLTAPMQJSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-6(10)7-5-4-2-1-3-8(4)5/h4-5,7H,1-3H2,(H,9,10)/t4-,5?,8?/m1/s1.
What are the key properties of [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
[(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid has a molecular weight of 142.16 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is sourced from PubChem (CID 88898396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).