3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid

C11H19NO5 — CID 82327489

IUPAC3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)CC1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(11(15)16)5-12(7-10(13)14)6-9-3-2-4-17-9/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFVUKYVUCRZAWME-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.27
Rot. Bonds7

About 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid

3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid (PubChem CID 82327489) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
PubChem CID82327489
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)CC1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(11(15)16)5-12(7-10(13)14)6-9-3-2-4-17-9/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFVUKYVUCRZAWME-UHFFFAOYSA-N
XLogP0.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121
3-[butyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82328219
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 64582510
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid (CID 82327489) is 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid is CC(CN(CC(=O)O)CC1CCCO1)C(=O)O.
What is the InChIKey of 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid?
The InChIKey is FVUKYVUCRZAWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(11(15)16)5-12(7-10(13)14)6-9-3-2-4-17-9/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid?
3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82327489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).