2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid

C13H27N3O3 — CID 102995511

IUPAC2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
SMILESCCN(CC)CCCN(CC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-5-15(6-2)9-8-10-16(7-3)13(19)14-11(4)12(17)18/h11H,5-10H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyGCNSRPBPVABGPV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.22
Rot. Bonds9

About 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid

2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid (PubChem CID 102995511) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
PubChem CID102995511
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
SMILESCCN(CC)CCCN(CC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-5-15(6-2)9-8-10-16(7-3)13(19)14-11(4)12(17)18/h11H,5-10H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyGCNSRPBPVABGPV-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
CID 102995572
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
(2S,3S)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3-methylpentanoic acid
CID 102995394
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 102995342
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid (CID 102995511) is 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid is CCN(CC)CCCN(CC)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid?
The InChIKey is GCNSRPBPVABGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-5-15(6-2)9-8-10-16(7-3)13(19)14-11(4)12(17)18/h11H,5-10H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid?
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 102995511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).