4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid

C13H24N2O5 — CID 82690900

IUPAC4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N1CCC(OCCO)CC1)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-10(8-12(17)18)9-14-13(19)15-4-2-11(3-5-15)20-7-6-16/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyRESVRVLVZWWNRF-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds7

About 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid

4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 82690900) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
PubChem CID82690900
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N1CCC(OCCO)CC1)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-10(8-12(17)18)9-14-13(19)15-4-2-11(3-5-15)20-7-6-16/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyRESVRVLVZWWNRF-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81069884
4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81071213
4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 82015600
4-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 81067824
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 82016011
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methoxy-3-methylbutan-1-one
CID 82691506

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid (CID 82690900) is 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid is CC(CNC(=O)N1CCC(OCCO)CC1)CC(=O)O.
What is the InChIKey of 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is RESVRVLVZWWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-10(8-12(17)18)9-14-13(19)15-4-2-11(3-5-15)20-7-6-16/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 82690900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).