methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate

C19H32N4O6 — CID 89483718

IUPACmethyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C19H32N4O6/c1-12(2)10-14(22-19(27)23-6-8-29-9-7-23)17(25)21-15(18(26)28-3)11-13-4-5-20-16(13)24/h12-15H,4-11H2,1-3H3,(H,20,24)(H,21,25)(H,22,27)/t13?,14-,15-/m0/s1
InChIKeyZCJVTOCYHMPRCM-FGRDXJNISA-N
MW412.49 g/mol
LogP-0.37
Rot. Bonds8

About methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate

methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate (PubChem CID 89483718) has the molecular formula C19H32N4O6 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
PubChem CID89483718
Molecular FormulaC19H32N4O6
Molecular Weight412.49 g/mol
Exact Mass412.23
IUPAC Namemethyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C19H32N4O6/c1-12(2)10-14(22-19(27)23-6-8-29-9-7-23)17(25)21-15(18(26)28-3)11-13-4-5-20-16(13)24/h12-15H,4-11H2,1-3H3,(H,20,24)(H,21,25)(H,22,27)/t13?,14-,15-/m0/s1
InChIKeyZCJVTOCYHMPRCM-FGRDXJNISA-N
XLogP-0.37
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate (CID 89483718) is methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate is COC(=O)[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The InChIKey is ZCJVTOCYHMPRCM-FGRDXJNISA-N. The full InChI is InChI=1S/C19H32N4O6/c1-12(2)10-14(22-19(27)23-6-8-29-9-7-23)17(25)21-15(18(26)28-3)11-13-4-5-20-16(13)24/h12-15H,4-11H2,1-3H3,(H,20,24)(H,21,25)(H,22,27)/t13?,14-,15-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate has a molecular weight of 412.49 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate is sourced from PubChem (CID 89483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).