2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid

C9H16N2O4 — CID 83989090

IUPAC2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
SMILESCOC(=O)N1CC(N)CC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-15-9(14)11-4-6(3-8(12)13)2-7(10)5-11/h6-7H,2-5,10H2,1H3,(H,12,13)
InChIKeyNUSUQDIGVQTLCH-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.12
Rot. Bonds2

About 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid

2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid (PubChem CID 83989090) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
PubChem CID83989090
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
SMILESCOC(=O)N1CC(N)CC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-15-9(14)11-4-6(3-8(12)13)2-7(10)5-11/h6-7H,2-5,10H2,1H3,(H,12,13)
InChIKeyNUSUQDIGVQTLCH-UHFFFAOYSA-N
XLogP-0.12
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate
CID 83989091
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114
methyl 3-ethyl-5-methylpiperidine-1-carboxylate
CID 172601898
2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid
CID 83989477
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 45089180
ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83989098
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 170992486
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid (CID 83989090) is 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid is COC(=O)N1CC(N)CC(CC(=O)O)C1.
What is the InChIKey of 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid?
The InChIKey is NUSUQDIGVQTLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-15-9(14)11-4-6(3-8(12)13)2-7(10)5-11/h6-7H,2-5,10H2,1H3,(H,12,13).
What are the key properties of 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid?
2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 83989090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).