(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid

C10H17N3O5 — CID 107827583

IUPAC(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H17N3O5/c11-8(14)3-7(9(15)16)13-10(17)12-4-6-1-2-18-5-6/h6-7H,1-5H2,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1
InChIKeyLFOIUXRYCLWDFX-COBSHVIPSA-N
MW259.26 g/mol
LogP-1.35
Rot. Bonds6

About (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid

(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid (PubChem CID 107827583) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
PubChem CID107827583
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H17N3O5/c11-8(14)3-7(9(15)16)13-10(17)12-4-6-1-2-18-5-6/h6-7H,1-5H2,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1
InChIKeyLFOIUXRYCLWDFX-COBSHVIPSA-N
XLogP-1.35
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-4-oxo-2-[2-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 114131742
2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 62823323
(2S)-4-amino-2-(cyclobutylmethylcarbamoylamino)-4-oxobutanoic acid
CID 63714418
4-amino-4-oxo-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191612
(2R)-4-amino-2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 107827339
(2S)-4-amino-2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717924
4-amino-2-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 62131450
(2S)-4-amino-2-[[2-(oxan-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 110837443
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074
3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
CID 81085795
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 79071157

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid (CID 107827583) is (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid is NC(=O)C[C@@H](NC(=O)NCC1CCOC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is LFOIUXRYCLWDFX-COBSHVIPSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-8(14)3-7(9(15)16)13-10(17)12-4-6-1-2-18-5-6/h6-7H,1-5H2,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid?
(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107827583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).