2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid

C14H27N3O4 — CID 61195973

IUPAC2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-3-12(2)17(11-13(18)19)14(20)15-5-4-6-16-7-9-21-10-8-16/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyAKPDYGUQZMWZHX-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds8

About 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid

2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid (PubChem CID 61195973) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
PubChem CID61195973
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-3-12(2)17(11-13(18)19)14(20)15-5-4-6-16-7-9-21-10-8-16/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyAKPDYGUQZMWZHX-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid 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

2-[propan-2-yl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 62992655
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
CID 61184394

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid (CID 61195973) is 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid?
The InChIKey is AKPDYGUQZMWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-3-12(2)17(11-13(18)19)14(20)15-5-4-6-16-7-9-21-10-8-16/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61195973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).