2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

C13H22N2O4 — CID 43656071

IUPAC2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H22N2O4/c16-9-11-3-5-14(6-4-11)13(19)15(8-12(17)18)7-10-1-2-10/h10-11,16H,1-9H2,(H,17,18)
InChIKeyIZESLKKNXMGNFY-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds5

About 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 43656071) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID43656071
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H22N2O4/c16-9-11-3-5-14(6-4-11)13(19)15(8-12(17)18)7-10-1-2-10/h10-11,16H,1-9H2,(H,17,18)
InChIKeyIZESLKKNXMGNFY-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 43656162
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606564
2-[cyclopropylmethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457391
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
CID 62889383
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393992
2-[bicyclo[4.1.0]heptane-7-carbonyl(cyclopropylmethyl)amino]acetic acid
CID 81360930

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (CID 43656071) is 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is IZESLKKNXMGNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-9-11-3-5-14(6-4-11)13(19)15(8-12(17)18)7-10-1-2-10/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 43656071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).