1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea

C14H25N3O2 — CID 95051746

IUPAC1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
SMILESCC(C)(C)NC(=O)N[C@H]1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)16-13(19)15-11-7-8-17(9-11)12(18)10-5-4-6-10/h10-11H,4-9H2,1-3H3,(H2,15,16,19)/t11-/m0/s1
InChIKeyHFVJXXTYKZXQAW-NSHDSACASA-N
MW267.37 g/mol
LogP1.49
Rot. Bonds2

About 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea

1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea (PubChem CID 95051746) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
PubChem CID95051746
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
SMILESCC(C)(C)NC(=O)N[C@H]1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)16-13(19)15-11-7-8-17(9-11)12(18)10-5-4-6-10/h10-11H,4-9H2,1-3H3,(H2,15,16,19)/t11-/m0/s1
InChIKeyHFVJXXTYKZXQAW-NSHDSACASA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
1-tert-butyl-3-cyclobutylurea
CID 17217146
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784
1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124588447
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea (CID 95051746) is 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea is CC(C)(C)NC(=O)N[C@H]1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea?
The InChIKey is HFVJXXTYKZXQAW-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)16-13(19)15-11-7-8-17(9-11)12(18)10-5-4-6-10/h10-11H,4-9H2,1-3H3,(H2,15,16,19)/t11-/m0/s1.
What are the key properties of 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea?
1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea has a molecular weight of 267.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 95051746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).