3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid

C13H23N3O4 — CID 61200021

IUPAC3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,3)16(8-6-10(17)18)12(20)15-7-4-5-9(15)11(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyZVMTZHURPGOUMP-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.63
Rot. Bonds4

About 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid

3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 61200021) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID61200021
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,3)16(8-6-10(17)18)12(20)15-7-4-5-9(15)11(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyZVMTZHURPGOUMP-UHFFFAOYSA-N
XLogP0.63
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61206908
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61186708
3-[tert-butyl(pyrrolidine-1-carbonyl)amino]propanoic acid
CID 61186565
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61198387
1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 61200021) is 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is ZVMTZHURPGOUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,3)16(8-6-10(17)18)12(20)15-7-4-5-9(15)11(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,17,18).
What are the key properties of 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61200021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).