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

C14H26N2O5 — CID 82015397

IUPAC2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(2)12(13(18)19)9-15-14(20)16-5-3-11(4-6-16)21-8-7-17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKTRUZZBRJNDXPD-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.53
Rot. Bonds7

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

2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 82015397) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
PubChem CID82015397
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(2)12(13(18)19)9-15-14(20)16-5-3-11(4-6-16)21-8-7-17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKTRUZZBRJNDXPD-UHFFFAOYSA-N
XLogP0.53
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-methyl-2-[[(4-methylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226860
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
2-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65226496
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
2-[[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65223636
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82690835

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid (CID 82015397) is 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)N1CCC(OCCO)CC1)C(=O)O.
What is the InChIKey of 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is KTRUZZBRJNDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-10(2)12(13(18)19)9-15-14(20)16-5-3-11(4-6-16)21-8-7-17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 82015397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).