1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C14H27N3O2 — CID 23588056

IUPAC1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)CN(C(=O)C1CCCN1C(=O)CN)C(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)9-17(11(3)4)14(19)12-6-5-7-16(12)13(18)8-15/h10-12H,5-9,15H2,1-4H3
InChIKeyVVGVXBCDUOCZEL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds5

About 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide

1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 23588056) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID23588056
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)CN(C(=O)C1CCCN1C(=O)CN)C(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)9-17(11(3)4)14(19)12-6-5-7-16(12)13(18)8-15/h10-12H,5-9,15H2,1-4H3
InChIKeyVVGVXBCDUOCZEL-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120581106
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 139607955
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
2-[[1-[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18490528
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18490439
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2R)-1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922543

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 23588056) is 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)CN(C(=O)C1CCCN1C(=O)CN)C(C)C.
What is the InChIKey of 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is VVGVXBCDUOCZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)9-17(11(3)4)14(19)12-6-5-7-16(12)13(18)8-15/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 23588056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).