(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid

C11H19N3O5 — CID 114007350

IUPAC(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
SMILESNC(=O)CC1CCN(C(=O)NC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c12-9(16)5-7-1-3-14(4-2-7)11(19)13-6-8(15)10(17)18/h7-8,15H,1-6H2,(H2,12,16)(H,13,19)(H,17,18)/t8-/m0/s1
InChIKeyJQCYUIUWVTVVCE-QMMMGPOBSA-N
MW273.29 g/mol
LogP-1.27
Rot. Bonds5

About (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid

(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid (PubChem CID 114007350) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
PubChem CID114007350
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
SMILESNC(=O)CC1CCN(C(=O)NC[C@H](O)C(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c12-9(16)5-7-1-3-14(4-2-7)11(19)13-6-8(15)10(17)18/h7-8,15H,1-6H2,(H2,12,16)(H,13,19)(H,17,18)/t8-/m0/s1
InChIKeyJQCYUIUWVTVVCE-QMMMGPOBSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 62669034
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
4-(2-amino-2-oxoethyl)-N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboxamide
CID 94097241
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837
4-(2-amino-2-oxoethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 86811914

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid (CID 114007350) is (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid is NC(=O)CC1CCN(C(=O)NC[C@H](O)C(=O)O)CC1.
What is the InChIKey of (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
The InChIKey is JQCYUIUWVTVVCE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-9(16)5-7-1-3-14(4-2-7)11(19)13-6-8(15)10(17)18/h7-8,15H,1-6H2,(H2,12,16)(H,13,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 114007350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).