2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid

C14H27N3O3 — CID 63235476

IUPAC2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-7-17(11-13(18)19)14(20)16(3)10-12-5-8-15(2)9-6-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyBUUOLVPSNAIFLD-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.18
Rot. Bonds6

About 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid (PubChem CID 63235476) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
PubChem CID63235476
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-7-17(11-13(18)19)14(20)16(3)10-12-5-8-15(2)9-6-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyBUUOLVPSNAIFLD-UHFFFAOYSA-N
XLogP1.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271648
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid
CID 79286176
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
CID 61191644
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid (CID 63235476) is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid?
The InChIKey is BUUOLVPSNAIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-7-17(11-13(18)19)14(20)16(3)10-12-5-8-15(2)9-6-12/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid?
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 63235476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).