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

C7H14N2O2 — CID 131092066

IUPAC[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
SMILESNC(=O)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C7H14N2O2/c8-7(11)9-6-3-1-2-5(6)4-10/h5-6,10H,1-4H2,(H3,8,9,11)/t5-,6-/m1/s1
InChIKeyRTNCMUCYHPKMBG-PHDIDXHHSA-N
MW158.20 g/mol
LogP-0.18
Rot. Bonds2

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

[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea (PubChem CID 131092066) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
PubChem CID131092066
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
SMILESNC(=O)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C7H14N2O2/c8-7(11)9-6-3-1-2-5(6)4-10/h5-6,10H,1-4H2,(H3,8,9,11)/t5-,6-/m1/s1
InChIKeyRTNCMUCYHPKMBG-PHDIDXHHSA-N
XLogP-0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
CID 103811440
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
2-amino-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]acetamide
CID 104872494
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
2-amino-2-cyclopropyl-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103821178
2-methylpropyl N-[2-(hydroxymethyl)cyclopentyl]carbamate
CID 106364581

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea (CID 131092066) is [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea is NC(=O)N[C@@H]1CCC[C@@H]1CO.
What is the InChIKey of [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is RTNCMUCYHPKMBG-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-7(11)9-6-3-1-2-5(6)4-10/h5-6,10H,1-4H2,(H3,8,9,11)/t5-,6-/m1/s1.
What are the key properties of [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea?
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 158.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 131092066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).