(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate

C12H21N2O3- — CID 169278462

IUPAC(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)[O-]
InChIInChI=1S/C12H22N2O3/c1-8(2)7-9(12(16)17)13-11(15)10-5-4-6-14(10)3/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)/p-1/t9-,10-/m0/s1
InChIKeyGWZQULDPCCCPOP-UWVGGRQHSA-M
MW241.31 g/mol
LogP-0.64
Rot. Bonds5

About (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate

(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate (PubChem CID 169278462) has the molecular formula C12H21N2O3- and a molecular weight of 241.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
PubChem CID169278462
Molecular FormulaC12H21N2O3-
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)[O-]
InChIInChI=1S/C12H22N2O3/c1-8(2)7-9(12(16)17)13-11(15)10-5-4-6-14(10)3/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)/p-1/t9-,10-/m0/s1
InChIKeyGWZQULDPCCCPOP-UWVGGRQHSA-M
XLogP-0.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
acetamide;N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-sulfanylpyrrolidine-2-carboxamide
CID 145380694
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
(2S)-2-[(1-methylpyrrolidine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 110837384
1-formyl-N-(5-methyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 88557039
N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
CID 143358728
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 139607955
(2S)-4-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]pentanoate
CID 7093682
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2S)-2-[[(2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 88753377

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate?
The IUPAC name of (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate (CID 169278462) is (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate.
What is the SMILES notation for (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate?
The canonical SMILES for (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)[O-].
What is the InChIKey of (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate?
The InChIKey is GWZQULDPCCCPOP-UWVGGRQHSA-M. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-9(12(16)17)13-11(15)10-5-4-6-14(10)3/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)/p-1/t9-,10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate?
(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate has a molecular weight of 241.31 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 169278462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).