methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate

C15H25N3O4 — CID 175458281

IUPACmethyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(CC1CCNC1=O)NC(=O)C(N)CC1CCC1
InChIInChI=1S/C15H25N3O4/c1-22-15(21)12(8-10-5-6-17-13(10)19)18-14(20)11(16)7-9-3-2-4-9/h9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyDHYLFFZCPGWQJA-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.31
Rot. Bonds7

About methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate

methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate (PubChem CID 175458281) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
PubChem CID175458281
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Namemethyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(CC1CCNC1=O)NC(=O)C(N)CC1CCC1
InChIInChI=1S/C15H25N3O4/c1-22-15(21)12(8-10-5-6-17-13(10)19)18-14(20)11(16)7-9-3-2-4-9/h9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyDHYLFFZCPGWQJA-UHFFFAOYSA-N
XLogP-0.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2S)-2-amino-N-[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide
CID 170431086
methyl 2-(2,2-dimethylpropanoylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175531737
methyl (2S)-2-[[(2S)-3-cyclohexyl-2-[(2-methyl-1-phenylpropoxy)carbonylamino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175379745
2-amino-N-[4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide;hydrochloride
CID 170431093
(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166722285

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate (CID 175458281) is methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate is COC(=O)C(CC1CCNC1=O)NC(=O)C(N)CC1CCC1.
What is the InChIKey of methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The InChIKey is DHYLFFZCPGWQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-22-15(21)12(8-10-5-6-17-13(10)19)18-14(20)11(16)7-9-3-2-4-9/h9-12H,2-8,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate has a molecular weight of 311.38 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate is sourced from PubChem (CID 175458281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).