(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid

C12H21N3O4 — CID 104596611

IUPAC(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CCCCN1
InChIInChI=1S/C12H21N3O4/c1-12(6-2-3-7-14-12)11(19)15-8(10(17)18)4-5-9(13)16/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,19)(H,17,18)/t8-,12?/m0/s1
InChIKeyHZLXCXMSQDMSSR-KBPLZSHQSA-N
MW271.32 g/mol
LogP-0.65
Rot. Bonds6

About (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 104596611) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID104596611
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CCCCN1
InChIInChI=1S/C12H21N3O4/c1-12(6-2-3-7-14-12)11(19)15-8(10(17)18)4-5-9(13)16/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,19)(H,17,18)/t8-,12?/m0/s1
InChIKeyHZLXCXMSQDMSSR-KBPLZSHQSA-N
XLogP-0.65
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 103870614
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830897
(2R)-5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107830415
5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980283
5-amino-2-[(2-methylthiolane-2-carbonyl)amino]-5-oxopentanoic acid
CID 81455302
(2S)-5-amino-2-[(2-methylthiolane-2-carbonyl)amino]-5-oxopentanoic acid
CID 81452476
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
CID 82813014

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid (CID 104596611) is (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid is CC1(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CCCCN1.
What is the InChIKey of (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is HZLXCXMSQDMSSR-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(6-2-3-7-14-12)11(19)15-8(10(17)18)4-5-9(13)16/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,19)(H,17,18)/t8-,12?/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.65, 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-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 104596611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).