(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid

C15H26N2O5 — CID 11438415

IUPAC(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)O
InChIInChI=1S/C15H26N2O5/c1-9(2)8-12(15(21)22)16(4)14(20)11-6-5-7-17(11)13(19)10(3)18/h9-12,18H,5-8H2,1-4H3,(H,21,22)/t10-,11+,12-/m1/s1
InChIKeyDYDAPUOYUQNTHC-GRYCIOLGSA-N
MW314.38 g/mol
LogP0.32
Rot. Bonds6

About (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid

(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid (PubChem CID 11438415) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid
PubChem CID11438415
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)O
InChIInChI=1S/C15H26N2O5/c1-9(2)8-12(15(21)22)16(4)14(20)11-6-5-7-17(11)13(19)10(3)18/h9-12,18H,5-8H2,1-4H3,(H,21,22)/t10-,11+,12-/m1/s1
InChIKeyDYDAPUOYUQNTHC-GRYCIOLGSA-N
XLogP0.32
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 58901304
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
methyl (3S,4R,5S)-3-hydroxy-4-[[(2S,3R)-3-hydroxy-2-[[(2R)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoyl]amino]-5-methylheptanoate
CID 10841083
methyl (2S,3S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate
CID 90662493
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
benzyl (2R)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 46217033
benzyl 2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 58649444
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
(2S)-1-(butylcarbamothioyl)-N-[(4R)-2,6-dimethyl-3-oxohept-1-en-4-yl]-N-methylpyrrolidine-2-carboxamide;ethane;molecular hydrogen
CID 156846172
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid (CID 11438415) is (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)O.
What is the InChIKey of (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid?
The InChIKey is DYDAPUOYUQNTHC-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-9(2)8-12(15(21)22)16(4)14(20)11-6-5-7-17(11)13(19)10(3)18/h9-12,18H,5-8H2,1-4H3,(H,21,22)/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid?
(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid has a molecular weight of 314.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 11438415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).