1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid

C11H19N3O5 — CID 114154411

IUPAC1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESNC(=O)C(O)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c12-10(17)8(15)5-13-6-9(16)14-3-1-7(2-4-14)11(18)19/h7-8,13,15H,1-6H2,(H2,12,17)(H,18,19)
InChIKeyXBVWBNSSRDSODL-UHFFFAOYSA-N
MW273.29 g/mol
LogP-2.25
Rot. Bonds6

About 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 114154411) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID114154411
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESNC(=O)C(O)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c12-10(17)8(15)5-13-6-9(16)14-3-1-7(2-4-14)11(18)19/h7-8,13,15H,1-6H2,(H2,12,17)(H,18,19)
InChIKeyXBVWBNSSRDSODL-UHFFFAOYSA-N
XLogP-2.25
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 106136922
1-[2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106305639
1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103261509
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid (CID 114154411) is 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid is NC(=O)C(O)CNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is XBVWBNSSRDSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-10(17)8(15)5-13-6-9(16)14-3-1-7(2-4-14)11(18)19/h7-8,13,15H,1-6H2,(H2,12,17)(H,18,19).
What are the key properties of 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114154411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).