4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid

C12H21N3O6 — CID 82015600

IUPAC4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C12H21N3O6/c13-10(17)7-9(11(18)19)14-12(20)15-3-1-8(2-4-15)21-6-5-16/h8-9,16H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)
InChIKeyYMZNOOCGWSCXHG-UHFFFAOYSA-N
MW303.32 g/mol
LogP-1.50
Rot. Bonds7

About 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid

4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid (PubChem CID 82015600) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
PubChem CID82015600
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C12H21N3O6/c13-10(17)7-9(11(18)19)14-12(20)15-3-1-8(2-4-15)21-6-5-16/h8-9,16H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)
InChIKeyYMZNOOCGWSCXHG-UHFFFAOYSA-N
XLogP-1.50
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
(2S)-4-amino-4-oxo-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 103500595
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
CID 82695564
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid
CID 107827567
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid (CID 82015600) is 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)N1CCC(OCCO)CC1)C(=O)O.
What is the InChIKey of 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid?
The InChIKey is YMZNOOCGWSCXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c13-10(17)7-9(11(18)19)14-12(20)15-3-1-8(2-4-15)21-6-5-16/h8-9,16H,1-7H2,(H2,13,17)(H,14,20)(H,18,19).
What are the key properties of 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid?
4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid has a molecular weight of 303.32 g/mol, XLogP of -1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 82015600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).