(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid

C11H20N2O4 — CID 62329877

IUPAC(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC1CCN(C(=O)N[C@@H](CO)C(=O)O)C(C)C1
InChIInChI=1S/C11H20N2O4/c1-7-3-4-13(8(2)5-7)11(17)12-9(6-14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyMDAUIJIAFFPJQB-HACHORDNSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds3

About (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 62329877) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID62329877
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC1CCN(C(=O)N[C@@H](CO)C(=O)O)C(C)C1
InChIInChI=1S/C11H20N2O4/c1-7-3-4-13(8(2)5-7)11(17)12-9(6-14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyMDAUIJIAFFPJQB-HACHORDNSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63304867
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55107825
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289264
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid (CID 62329877) is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid is CC1CCN(C(=O)N[C@@H](CO)C(=O)O)C(C)C1.
What is the InChIKey of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is MDAUIJIAFFPJQB-HACHORDNSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-3-4-13(8(2)5-7)11(17)12-9(6-14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 62329877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).