(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid

C12H22N2O5 — CID 107839175

IUPAC(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCOC1CCCN(C(=O)NC[C@H](O)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-6-19-9-4-3-5-14(8-9)12(18)13-7-10(15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1
InChIKeyQBNPTAGEFLQZER-AXDSSHIGSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds6

About (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 107839175) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
PubChem CID107839175
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCOC1CCCN(C(=O)NC[C@H](O)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-6-19-9-4-3-5-14(8-9)12(18)13-7-10(15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1
InChIKeyQBNPTAGEFLQZER-AXDSSHIGSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid (CID 107839175) is (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid is CCCOC1CCCN(C(=O)NC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is QBNPTAGEFLQZER-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-2-6-19-9-4-3-5-14(8-9)12(18)13-7-10(15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107839175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).