ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate

C18H33N3O4 — CID 142133720

IUPACethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate
SMILESCCOC(=O)C(CC(C)C)NC(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C18H33N3O4/c1-6-25-17(23)14(11-12(2)3)19-18(24)20-15(13(4)5)16(22)21-9-7-8-10-21/h12-15H,6-11H2,1-5H3,(H2,19,20,24)/t14?,15-/m0/s1
InChIKeyMQFFRLJLSQMBSS-LOACHALJSA-N
MW355.48 g/mol
LogP1.91
Rot. Bonds8

About ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate

ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate (PubChem CID 142133720) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate
PubChem CID142133720
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nameethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate
SMILESCCOC(=O)C(CC(C)C)NC(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C18H33N3O4/c1-6-25-17(23)14(11-12(2)3)19-18(24)20-15(13(4)5)16(22)21-9-7-8-10-21/h12-15H,6-11H2,1-5H3,(H2,19,20,24)/t14?,15-/m0/s1
InChIKeyMQFFRLJLSQMBSS-LOACHALJSA-N
XLogP1.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate with MolForge

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
CID 110348621
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
ethyl 1-[3-methyl-2-(pentanoylamino)butanoyl]piperidine-3-carboxylate
CID 42697442
ethyl N-[(2R)-3-methyl-1-oxo-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-yl]carbamate
CID 95977915
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 110348620
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate?
The IUPAC name of ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate (CID 142133720) is ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate?
The canonical SMILES for ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate is CCOC(=O)C(CC(C)C)NC(=O)N[C@H](C(=O)N1CCCC1)C(C)C.
What is the InChIKey of ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate?
The InChIKey is MQFFRLJLSQMBSS-LOACHALJSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-6-25-17(23)14(11-12(2)3)19-18(24)20-15(13(4)5)16(22)21-9-7-8-10-21/h12-15H,6-11H2,1-5H3,(H2,19,20,24)/t14?,15-/m0/s1.
What are the key properties of ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate?
ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate has a molecular weight of 355.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate is sourced from PubChem (CID 142133720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).