(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid

C13H25N3O4 — CID 78976341

IUPAC(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1
InChIKeyQVQKFZOITRQANP-LLVKDONJSA-N
MW287.36 g/mol
LogP0.12
Rot. Bonds7

About (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid

(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid (PubChem CID 78976341) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
PubChem CID78976341
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1
InChIKeyQVQKFZOITRQANP-LLVKDONJSA-N
XLogP0.12
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid
CID 2017769
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 54967478
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218493
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid (CID 78976341) is (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)NCCN1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is QVQKFZOITRQANP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 78976341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).