4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid

C12H21N3O5 — CID 82961331

IUPAC4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H21N3O5/c1-6(2)10(13)11(17)14-3-9(16)15-8-5-20-4-7(8)12(18)19/h6-8,10H,3-5,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t7?,8?,10-/m0/s1
InChIKeyYRKFVGBGQCVSTQ-KTOWXAHTSA-N
MW287.32 g/mol
LogP-1.70
Rot. Bonds6

About 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid

4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 82961331) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
PubChem CID82961331
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H21N3O5/c1-6(2)10(13)11(17)14-3-9(16)15-8-5-20-4-7(8)12(18)19/h6-8,10H,3-5,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t7?,8?,10-/m0/s1
InChIKeyYRKFVGBGQCVSTQ-KTOWXAHTSA-N
XLogP-1.70
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 82964251
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104940473
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961450
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid (CID 82961331) is 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid is CC(C)[C@H](N)C(=O)NCC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is YRKFVGBGQCVSTQ-KTOWXAHTSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-6(2)10(13)11(17)14-3-9(16)15-8-5-20-4-7(8)12(18)19/h6-8,10H,3-5,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t7?,8?,10-/m0/s1.
What are the key properties of 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 82961331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).