4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid

C12H22N2O4 — CID 104903670

IUPAC4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-7(2)4-8(13)10(15)14-9-5-18-6-12(9,3)11(16)17/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,16,17)/t8-,9?,12?/m1/s1
InChIKeyCKZFTLALSKHWNM-YDNLMGDJSA-N
MW258.32 g/mol
LogP-0.03
Rot. Bonds5

About 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 104903670) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID104903670
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-7(2)4-8(13)10(15)14-9-5-18-6-12(9,3)11(16)17/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,16,17)/t8-,9?,12?/m1/s1
InChIKeyCKZFTLALSKHWNM-YDNLMGDJSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid with MolForge

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Related Compounds

Ac-Ser-Leu-Val-OMe
CID 44340708
Ac-Ser-Leu-Gly(tBu)-OH
CID 10523387
Ac-Ser(Ac)(Ac)-Leu-Val-OH
CID 11795315
L-Leucyl-O-methyl-L-threonine
CID 71397854
Leu-Ser-Asp
CID 145456512
Ser-Leu-Asp
CID 145457793
3-Methyl-4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79261018
4-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 79810710
l-Leucyl-l-O-methylthreonine
CID 559538
(3S)-3-amino-4-oxo-4-[1-(2,2,4-trimethylpentoxy)propan-2-ylamino]butanoic acid
CID 18603720
N-[(2S)-1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 58999664
ethyl (2R)-3-hydroxy-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 88067604

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 104903670) is 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid is CC(C)C[C@@H](N)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is CKZFTLALSKHWNM-YDNLMGDJSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-7(2)4-8(13)10(15)14-9-5-18-6-12(9,3)11(16)17/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,16,17)/t8-,9?,12?/m1/s1.
What are the key properties of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 104903670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).