[(1S,2R)-2-(aminomethyl)cyclopentyl]urea

C7H15N3O — CID 94903973

IUPAC[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
SMILESNC[C@H]1CCC[C@@H]1NC(N)=O
InChIInChI=1S/C7H15N3O/c8-4-5-2-1-3-6(5)10-7(9)11/h5-6H,1-4,8H2,(H3,9,10,11)/t5-,6+/m1/s1
InChIKeyDAUMQTMEJQYCCL-RITPCOANSA-N
MW157.22 g/mol
LogP-0.22
Rot. Bonds2

About [(1S,2R)-2-(aminomethyl)cyclopentyl]urea

[(1S,2R)-2-(aminomethyl)cyclopentyl]urea (PubChem CID 94903973) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is [(1S,2R)-2-(aminomethyl)cyclopentyl]urea.

Molecular Properties

Compound Name[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
PubChem CID94903973
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
SMILESNC[C@H]1CCC[C@@H]1NC(N)=O
InChIInChI=1S/C7H15N3O/c8-4-5-2-1-3-6(5)10-7(9)11/h5-6H,1-4,8H2,(H3,9,10,11)/t5-,6+/m1/s1
InChIKeyDAUMQTMEJQYCCL-RITPCOANSA-N
XLogP-0.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308995
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(aminomethyl)cyclopentyl]urea?
The IUPAC name of [(1S,2R)-2-(aminomethyl)cyclopentyl]urea (CID 94903973) is [(1S,2R)-2-(aminomethyl)cyclopentyl]urea.
What is the SMILES notation for [(1S,2R)-2-(aminomethyl)cyclopentyl]urea?
The canonical SMILES for [(1S,2R)-2-(aminomethyl)cyclopentyl]urea is NC[C@H]1CCC[C@@H]1NC(N)=O.
What is the InChIKey of [(1S,2R)-2-(aminomethyl)cyclopentyl]urea?
The InChIKey is DAUMQTMEJQYCCL-RITPCOANSA-N. The full InChI is InChI=1S/C7H15N3O/c8-4-5-2-1-3-6(5)10-7(9)11/h5-6H,1-4,8H2,(H3,9,10,11)/t5-,6+/m1/s1.
What are the key properties of [(1S,2R)-2-(aminomethyl)cyclopentyl]urea?
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea has a molecular weight of 157.22 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(aminomethyl)cyclopentyl]urea is sourced from PubChem (CID 94903973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).