2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one

C15H27N3O2 — CID 21076494

IUPAC2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCCC1C(=O)C1CCCN1
InChIInChI=1S/C15H27N3O2/c1-3-10(2)13(16)15(20)18-9-5-7-12(18)14(19)11-6-4-8-17-11/h10-13,17H,3-9,16H2,1-2H3
InChIKeyLQHKCICSWAVQIS-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.67
Rot. Bonds5

About 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one

2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 21076494) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID21076494
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCCC1C(=O)C1CCCN1
InChIInChI=1S/C15H27N3O2/c1-3-10(2)13(16)15(20)18-9-5-7-12(18)14(19)11-6-4-8-17-11/h10-13,17H,3-9,16H2,1-2H3
InChIKeyLQHKCICSWAVQIS-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
(2R)-1-[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129360484
1-[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167995084
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 18297138
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 23277019
3-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-4-(1-carboxyethylamino)-4-oxobutanoic acid
CID 18297059
2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 18221870
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
CID 18297068
(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 175766347
4-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 18297098

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one (CID 21076494) is 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one is CCC(C)C(N)C(=O)N1CCCC1C(=O)C1CCCN1.
What is the InChIKey of 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is LQHKCICSWAVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-10(2)13(16)15(20)18-9-5-7-12(18)14(19)11-6-4-8-17-11/h10-13,17H,3-9,16H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one?
2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 21076494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).