3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid

C10H21N3O4 — CID 66177839

IUPAC3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCNCCCNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21N3O4/c1-3-11-5-4-6-12-9(16)13-7-10(2,17)8(14)15/h11,17H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyOVRHSXYQECEZGE-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.88
Rot. Bonds8

About 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66177839) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66177839
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCNCCCNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21N3O4/c1-3-11-5-4-6-12-9(16)13-7-10(2,17)8(14)15/h11,17H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyOVRHSXYQECEZGE-UHFFFAOYSA-N
XLogP-0.88
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic 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

3-(3-butoxypropylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 113481168
4-(ethylamino)-2-hydroxy-2-methylbutanoic acid
CID 71603959
3-(but-3-ynylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175324
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 66176150
1-butyl-3-[3-(ethylamino)-2-(ethylaminomethyl)-2-methylpropyl]urea
CID 22381260
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
(2R)-2-[3-(ethylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 79010343
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 66177839) is 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid is CCNCCCNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is OVRHSXYQECEZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-3-11-5-4-6-12-9(16)13-7-10(2,17)8(14)15/h11,17H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.88, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66177839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).