1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea

C14H28N2O3 — CID 97226958

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea
SMILESCC(C)COC[C@H](C)NC(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H28N2O3/c1-11(2)8-19-9-12(3)15-13(18)16-14(10-17)6-4-5-7-14/h11-12,17H,4-10H2,1-3H3,(H2,15,16,18)/t12-/m0/s1
InChIKeyPDDQKOXHOJAXDP-LBPRGKRZSA-N
MW272.39 g/mol
LogP1.65
Rot. Bonds7

About 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea

1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea (PubChem CID 97226958) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea
PubChem CID97226958
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea
SMILESCC(C)COC[C@H](C)NC(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H28N2O3/c1-11(2)8-19-9-12(3)15-13(18)16-14(10-17)6-4-5-7-14/h11-12,17H,4-10H2,1-3H3,(H2,15,16,18)/t12-/m0/s1
InChIKeyPDDQKOXHOJAXDP-LBPRGKRZSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
CID 97028932
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
(2R)-2-methyl-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]piperidine-2-carboxamide
CID 99853203
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
(2R)-2-methoxy-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]propanamide
CID 97016019
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 82939315
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea (CID 97226958) is 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea is CC(C)COC[C@H](C)NC(=O)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea?
The InChIKey is PDDQKOXHOJAXDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)8-19-9-12(3)15-13(18)16-14(10-17)6-4-5-7-14/h11-12,17H,4-10H2,1-3H3,(H2,15,16,18)/t12-/m0/s1.
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea has a molecular weight of 272.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea is sourced from PubChem (CID 97226958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).