ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate

C15H28N2O4 — CID 95782318

IUPACethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate
SMILESCCOC(=O)[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)CC
InChIInChI=1S/C15H28N2O4/c1-7-10(3)12(13(19)21-8-2)17-11(18)9-16-14(20)15(4,5)6/h10,12H,7-9H2,1-6H3,(H,16,20)(H,17,18)/t10-,12-/m1/s1
InChIKeyPXHXLTKJRRKGRL-ZYHUDNBSSA-N
MW300.40 g/mol
LogP1.24
Rot. Bonds7

About ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate

ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate (PubChem CID 95782318) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate
PubChem CID95782318
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate
SMILESCCOC(=O)[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)CC
InChIInChI=1S/C15H28N2O4/c1-7-10(3)12(13(19)21-8-2)17-11(18)9-16-14(20)15(4,5)6/h10,12H,7-9H2,1-6H3,(H,16,20)(H,17,18)/t10-,12-/m1/s1
InChIKeyPXHXLTKJRRKGRL-ZYHUDNBSSA-N
XLogP1.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate 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

ethyl 2-(3-chloropropanoylamino)-3-methylpentanoate
CID 82110698
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
(2S,3S)-2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]-3-methylpentanoic acid
CID 119194294
ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583
N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79252985
ethyl (2R)-4-(2,2-dimethylpropanoylamino)-2-methylbutanoate
CID 143719664
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
diethyl 2-(2,2-dimethylpropanoylamino)propanedioate
CID 43423034
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653
ethyl (2R,3S)-2-[[(3R)-3-benzamidobutanoyl]amino]-3-methylpentanoate
CID 95782351
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate?
The IUPAC name of ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate (CID 95782318) is ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate.
What is the SMILES notation for ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate?
The canonical SMILES for ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate is CCOC(=O)[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)CC.
What is the InChIKey of ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate?
The InChIKey is PXHXLTKJRRKGRL-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-7-10(3)12(13(19)21-8-2)17-11(18)9-16-14(20)15(4,5)6/h10,12H,7-9H2,1-6H3,(H,16,20)(H,17,18)/t10-,12-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate?
ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate has a molecular weight of 300.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 95782318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).