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

C14H29N3O4 — CID 102995572

IUPAC2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
SMILESCCN(CC)CCCN(CC)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C14H29N3O4/c1-5-16(6-2)9-8-10-17(7-3)14(20)15-12(11-21-4)13(18)19/h12H,5-11H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyPDCIDWGNIKUVQX-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.85
Rot. Bonds11

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

2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid (PubChem CID 102995572) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
PubChem CID102995572
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
SMILESCCN(CC)CCCN(CC)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C14H29N3O4/c1-5-16(6-2)9-8-10-17(7-3)14(20)15-12(11-21-4)13(18)19/h12H,5-11H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyPDCIDWGNIKUVQX-UHFFFAOYSA-N
XLogP0.85
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
CID 102995511
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid (CID 102995572) is 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid is CCN(CC)CCCN(CC)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid?
The InChIKey is PDCIDWGNIKUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-5-16(6-2)9-8-10-17(7-3)14(20)15-12(11-21-4)13(18)19/h12H,5-11H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid?
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid has a molecular weight of 303.40 g/mol, XLogP of 0.85, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 102995572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).