2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid

C9H16N2O4 — CID 61189969

IUPAC2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(8(13)14)10-9(15)11-4-2-7(12)3-5-11/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)
InChIKeyTZAHFNPEBRDYSQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.37
Rot. Bonds2

About 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid

2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61189969) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61189969
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(8(13)14)10-9(15)11-4-2-7(12)3-5-11/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)
InChIKeyTZAHFNPEBRDYSQ-UHFFFAOYSA-N
XLogP-0.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
CID 78989393
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62062405
2-cyclohexyl-2-[(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190973
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid (CID 61189969) is 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid is CC(NC(=O)N1CCC(O)CC1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is TZAHFNPEBRDYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(8(13)14)10-9(15)11-4-2-7(12)3-5-11/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61189969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).