2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid

C12H22N2O4 — CID 82749425

IUPAC2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)C1CCOC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-4-9(11(15)16)7-13-12(17)14(2)10-5-6-18-8-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPAMKZVMJZHQZSU-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds6

About 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid

2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 82749425) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID82749425
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)C1CCOC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-4-9(11(15)16)7-13-12(17)14(2)10-5-6-18-8-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPAMKZVMJZHQZSU-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 102633495
2-[[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223298
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
CID 114950946
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
2-[[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223018
2-[[methyl(oxolan-3-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 82742681
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
2-[[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221185
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
2-[methyl(oxolan-3-yl)amino]pentanehydrazide
CID 83047683

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid (CID 82749425) is 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)C1CCOC1)C(=O)O.
What is the InChIKey of 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is PAMKZVMJZHQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-9(11(15)16)7-13-12(17)14(2)10-5-6-18-8-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid?
2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 82749425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).