2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid

C10H18N2O4 — CID 62823323

IUPAC2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-8(9(13)14)12-10(15)11-5-7-3-4-16-6-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyKJDZCQSARBKBSI-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.19
Rot. Bonds5

About 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid

2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid (PubChem CID 62823323) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
PubChem CID62823323
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-8(9(13)14)12-10(15)11-5-7-3-4-16-6-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyKJDZCQSARBKBSI-UHFFFAOYSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074
(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 107827583
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
CID 81085795
(2S,3S)-3-methyl-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 63705569
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
(2S)-4-amino-4-oxo-2-[2-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 114131742
3-methyl-2-[2-(oxolan-3-yl)ethylcarbamoylamino]pentanoic acid
CID 114131706
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid (CID 62823323) is 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid is CCC(NC(=O)NCC1CCOC1)C(=O)O.
What is the InChIKey of 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is KJDZCQSARBKBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-8(9(13)14)12-10(15)11-5-7-3-4-16-6-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 62823323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).