2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid

C11H19N3O5 — CID 63645788

IUPAC2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CCCC(NC(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-13-4-2-3-8(5-13)12-11(19)14(6-9(15)16)7-10(17)18/h8H,2-7H2,1H3,(H,12,19)(H,15,16)(H,17,18)
InChIKeyVKHBUHLHIVEDEW-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.74
Rot. Bonds5

About 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 63645788) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID63645788
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN1CCCC(NC(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-13-4-2-3-8(5-13)12-11(19)14(6-9(15)16)7-10(17)18/h8H,2-7H2,1H3,(H,12,19)(H,15,16)(H,17,18)
InChIKeyVKHBUHLHIVEDEW-UHFFFAOYSA-N
XLogP-0.74
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 61223104
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 79257255
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669638
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115164768
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429
(Z)-2,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobut-2-enoic acid
CID 55169838
2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 107438508
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid (CID 63645788) is 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid is CN1CCCC(NC(=O)N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is VKHBUHLHIVEDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-13-4-2-3-8(5-13)12-11(19)14(6-9(15)16)7-10(17)18/h8H,2-7H2,1H3,(H,12,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63645788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).