(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid

C11H19N3O4 — CID 98541910

IUPAC(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
SMILESC[C@@H]1CNC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-6-4-13-5-7(6)10(16)14-8(11(17)18)2-3-9(12)15/h6-8,13H,2-5H2,1H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,8+/m1/s1
InChIKeyXHMNLUBNQLDJCX-PRJMDXOYSA-N
MW257.29 g/mol
LogP-1.32
Rot. Bonds6

About (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 98541910) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
PubChem CID98541910
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
SMILESC[C@@H]1CNC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-6-4-13-5-7(6)10(16)14-8(11(17)18)2-3-9(12)15/h6-8,13H,2-5H2,1H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,8+/m1/s1
InChIKeyXHMNLUBNQLDJCX-PRJMDXOYSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909244
2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63715316
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63714654
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid (CID 98541910) is (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid is C[C@@H]1CNC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is XHMNLUBNQLDJCX-PRJMDXOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6-4-13-5-7(6)10(16)14-8(11(17)18)2-3-9(12)15/h6-8,13H,2-5H2,1H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,8+/m1/s1.
What are the key properties of (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 98541910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).