2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

C15H29N3O3 — CID 79311789

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCN1CCCC1CN(C)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-6-18-9-7-8-11(18)10-17(5)14(21)16-12(13(19)20)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyWEVUACZBGGQFCM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.61
Rot. Bonds5

About 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 79311789) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID79311789
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCN1CCCC1CN(C)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-6-18-9-7-8-11(18)10-17(5)14(21)16-12(13(19)20)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyWEVUACZBGGQFCM-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2R)-3,3-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 103928149
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79315825
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]butanoic acid
CID 79315607
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 79315116
(2S)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107828305
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 79312017
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927983
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 62887648
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107840410
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 79303982
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]propanamide
CID 79314990

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (CID 79311789) is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is CCN1CCCC1CN(C)C(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is WEVUACZBGGQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-18-9-7-8-11(18)10-17(5)14(21)16-12(13(19)20)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 79311789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).