[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea

C13H25N3O3 — CID 112627448

IUPAC[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H25N3O3/c1-4-8(2)11(15-13(14)19)12(18)16-6-5-10(7-16)9(3)17/h8-11,17H,4-7H2,1-3H3,(H3,14,15,19)
InChIKeyYXLXTWRAUKHYMG-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.30
Rot. Bonds5

About [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea

[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea (PubChem CID 112627448) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
PubChem CID112627448
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H25N3O3/c1-4-8(2)11(15-13(14)19)12(18)16-6-5-10(7-16)9(3)17/h8-11,17H,4-7H2,1-3H3,(H3,14,15,19)
InChIKeyYXLXTWRAUKHYMG-UHFFFAOYSA-N
XLogP0.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 112627501
1-[2-(carbamoylamino)-3-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720993
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
CID 43171082
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea (CID 112627448) is [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea is CCC(C)C(NC(N)=O)C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
The InChIKey is YXLXTWRAUKHYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-8(2)11(15-13(14)19)12(18)16-6-5-10(7-16)9(3)17/h8-11,17H,4-7H2,1-3H3,(H3,14,15,19).
What are the key properties of [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea?
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea has a molecular weight of 271.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 112627448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).