(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid

C11H19N3O5 — CID 114007572

IUPAC(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CC(NC(=O)NCC[C@H](O)C(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O5/c1-14-6-7(2-3-9(14)16)13-11(19)12-5-4-8(15)10(17)18/h7-8,15H,2-6H2,1H3,(H,17,18)(H2,12,13,19)/t7?,8-/m0/s1
InChIKeyCIAGBBICHVRXKD-MQWKRIRWSA-N
MW273.29 g/mol
LogP-1.26
Rot. Bonds5

About (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid

(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 114007572) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
PubChem CID114007572
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CC(NC(=O)NCC[C@H](O)C(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O5/c1-14-6-7(2-3-9(14)16)13-11(19)12-5-4-8(15)10(17)18/h7-8,15H,2-6H2,1H3,(H,17,18)(H2,12,13,19)/t7?,8-/m0/s1
InChIKeyCIAGBBICHVRXKD-MQWKRIRWSA-N
XLogP-1.26
TPSA118.97 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 ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464236
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64670249
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid (CID 114007572) is (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid is CN1CC(NC(=O)NCC[C@H](O)C(=O)O)CCC1=O.
What is the InChIKey of (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is CIAGBBICHVRXKD-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-14-6-7(2-3-9(14)16)13-11(19)12-5-4-8(15)10(17)18/h7-8,15H,2-6H2,1H3,(H,17,18)(H2,12,13,19)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 114007572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).