2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid

C15H29N3O3 — CID 79815179

IUPAC2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NCC1CCN(C(C)C)C1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-15(6-2,13(19)20)17-14(21)16-9-12-7-8-18(10-12)11(3)4/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyACLONHVOTIRBIR-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.66
Rot. Bonds7

About 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid

2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid (PubChem CID 79815179) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
PubChem CID79815179
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NCC1CCN(C(C)C)C1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-15(6-2,13(19)20)17-14(21)16-9-12-7-8-18(10-12)11(3)4/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyACLONHVOTIRBIR-UHFFFAOYSA-N
XLogP1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804222
(2S)-2-hydroxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 107839496
2-cyclopropyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]acetic acid
CID 62711409
2-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 106110039
2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 114292186
1-[[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446710
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
1-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191805
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid (CID 79815179) is 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid is CCC(CC)(NC(=O)NCC1CCN(C(C)C)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is ACLONHVOTIRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-15(6-2,13(19)20)17-14(21)16-9-12-7-8-18(10-12)11(3)4/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid?
2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79815179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).