(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid

C16H31N3O4 — CID 59979121

IUPAC(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid
SMILESCN[C@@H](CCCN1CCOCC1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C16H31N3O4/c1-12(2)11-14(16(21)22)18-15(20)13(17-3)5-4-6-19-7-9-23-10-8-19/h12-14,17H,4-11H2,1-3H3,(H,18,20)(H,21,22)/t13-,14-/m0/s1
InChIKeyVQTRZYIETODKLK-KBPBESRZSA-N
MW329.44 g/mol
LogP0.30
Rot. Bonds10

About (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid (PubChem CID 59979121) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid
PubChem CID59979121
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Name(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid
SMILESCN[C@@H](CCCN1CCOCC1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C16H31N3O4/c1-12(2)11-14(16(21)22)18-15(20)13(17-3)5-4-6-19-7-9-23-10-8-19/h12-14,17H,4-11H2,1-3H3,(H,18,20)(H,21,22)/t13-,14-/m0/s1
InChIKeyVQTRZYIETODKLK-KBPBESRZSA-N
XLogP0.30
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid (CID 59979121) is (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid is CN[C@@H](CCCN1CCOCC1)C(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid?
The InChIKey is VQTRZYIETODKLK-KBPBESRZSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-12(2)11-14(16(21)22)18-15(20)13(17-3)5-4-6-19-7-9-23-10-8-19/h12-14,17H,4-11H2,1-3H3,(H,18,20)(H,21,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid has a molecular weight of 329.44 g/mol, XLogP of 0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid is sourced from PubChem (CID 59979121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).