3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid

C11H23N3O4 — CID 66165725

IUPAC3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCCN(CCN(C)C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H23N3O4/c1-4-5-14(7-6-13(2)3)11(18)12-8-9(15)10(16)17/h9,15H,4-8H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyUEUWFYZHYDRFHB-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.58
Rot. Bonds8

About 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid

3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66165725) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66165725
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCCN(CCN(C)C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H23N3O4/c1-4-5-14(7-6-13(2)3)11(18)12-8-9(15)10(16)17/h9,15H,4-8H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyUEUWFYZHYDRFHB-UHFFFAOYSA-N
XLogP-0.58
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624
1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 115595036
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid (CID 66165725) is 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid is CCCN(CCN(C)C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is UEUWFYZHYDRFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-4-5-14(7-6-13(2)3)11(18)12-8-9(15)10(16)17/h9,15H,4-8H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid?
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 261.32 g/mol, XLogP of -0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).