2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid

C12H23N3O4 — CID 65218493

IUPAC2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-2-10(11(16)17)9-14-12(18)13-3-4-15-5-7-19-8-6-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyRYZJCTQWDXMHCD-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.27
Rot. Bonds7

About 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid

2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid (PubChem CID 65218493) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid
PubChem CID65218493
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-2-10(11(16)17)9-14-12(18)13-3-4-15-5-7-19-8-6-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyRYZJCTQWDXMHCD-UHFFFAOYSA-N
XLogP-0.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
(2S)-4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid
CID 2017769
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
CID 4221669
2-[2-(2-morpholin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79463716
1-(2-methoxyethoxymethyl)-3-(2-morpholin-4-ylethyl)urea
CID 108894367
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid (CID 65218493) is 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid is CCC(CNC(=O)NCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid?
The InChIKey is RYZJCTQWDXMHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-2-10(11(16)17)9-14-12(18)13-3-4-15-5-7-19-8-6-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid?
2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-ylethylcarbamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65218493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).