2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid

C12H22N2O4 — CID 55096980

IUPAC2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C12H22N2O4/c1-9(11(15)16)14(3)12(17)13(2)8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyQKGRHRZHFMVIQK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds4

About 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid

2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 55096980) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID55096980
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C12H22N2O4/c1-9(11(15)16)14(3)12(17)13(2)8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyQKGRHRZHFMVIQK-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435932
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)prop-2-enamide
CID 61435743
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid (CID 55096980) is 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)N(C)CC1CCCCO1.
What is the InChIKey of 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is QKGRHRZHFMVIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(11(15)16)14(3)12(17)13(2)8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55096980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).