1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea

C15H25N3O2 — CID 164640949

IUPAC1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
SMILESCN1C[C@@H](NC(=O)N(CC2CCC2)CC2CC2)CC1=O
InChIInChI=1S/C15H25N3O2/c1-17-10-13(7-14(17)19)16-15(20)18(9-12-5-6-12)8-11-3-2-4-11/h11-13H,2-10H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeyRRUPIDRBVZSXHT-ZDUSSCGKSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds5

About 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea

1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea (PubChem CID 164640949) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
PubChem CID164640949
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
SMILESCN1C[C@@H](NC(=O)N(CC2CCC2)CC2CC2)CC1=O
InChIInChI=1S/C15H25N3O2/c1-17-10-13(7-14(17)19)16-15(20)18(9-12-5-6-12)8-11-3-2-4-11/h11-13H,2-10H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeyRRUPIDRBVZSXHT-ZDUSSCGKSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea (CID 164640949) is 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea is CN1C[C@@H](NC(=O)N(CC2CCC2)CC2CC2)CC1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea?
The InChIKey is RRUPIDRBVZSXHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-10-13(7-14(17)19)16-15(20)18(9-12-5-6-12)8-11-3-2-4-11/h11-13H,2-10H2,1H3,(H,16,20)/t13-/m0/s1.
What are the key properties of 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea?
1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea has a molecular weight of 279.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-(cyclopropylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 164640949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).