1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea

C7H15N3O2 — CID 144606750

IUPAC1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea
SMILESCNC(=O)N[C@H]1CC(N)C[C@H]1O
InChIInChI=1S/C7H15N3O2/c1-9-7(12)10-5-2-4(8)3-6(5)11/h4-6,11H,2-3,8H2,1H3,(H2,9,10,12)/t4?,5-,6+/m0/s1
InChIKeyJMDURLUYACMMKJ-DUAGOPDLSA-N
MW173.22 g/mol
LogP-1.23
Rot. Bonds1

About 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea

1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea (PubChem CID 144606750) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea.

Molecular Properties

Compound Name1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea
PubChem CID144606750
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea
SMILESCNC(=O)N[C@H]1CC(N)C[C@H]1O
InChIInChI=1S/C7H15N3O2/c1-9-7(12)10-5-2-4(8)3-6(5)11/h4-6,11H,2-3,8H2,1H3,(H2,9,10,12)/t4?,5-,6+/m0/s1
InChIKeyJMDURLUYACMMKJ-DUAGOPDLSA-N
XLogP-1.23
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
CID 71020449
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
CID 138652029
1-cyclopent-3-en-1-yl-3-methylurea
CID 115695215
1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
CID 80560889
1-[3-(aminomethyl)cyclohexyl]-3-methylurea
CID 130538288
1-ethyl-3-[[2-(methylcarbamoylamino)cyclopropyl]methyl]urea
CID 138569359
1-methyl-3-piperidin-4-ylurea
CID 18759970
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
1-amino-3-(2-methylcyclopropyl)urea
CID 62408837
1-(3-aminocyclobutyl)-3-cyclopropylurea
CID 62700809

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea?
The IUPAC name of 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea (CID 144606750) is 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea.
What is the SMILES notation for 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea?
The canonical SMILES for 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea is CNC(=O)N[C@H]1CC(N)C[C@H]1O.
What is the InChIKey of 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea?
The InChIKey is JMDURLUYACMMKJ-DUAGOPDLSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-7(12)10-5-2-4(8)3-6(5)11/h4-6,11H,2-3,8H2,1H3,(H2,9,10,12)/t4?,5-,6+/m0/s1.
What are the key properties of 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea?
1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea has a molecular weight of 173.22 g/mol, XLogP of -1.23, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea is sourced from PubChem (CID 144606750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).