3-(dipropylcarbamoylamino)-2-methylpropanoic acid

C11H22N2O3 — CID 62668824

IUPAC3-(dipropylcarbamoylamino)-2-methylpropanoic acid
SMILESCCCN(CCC)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-13(7-5-2)11(16)12-8-9(3)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyCHZDSGVKIBYRAV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds7

About 3-(dipropylcarbamoylamino)-2-methylpropanoic acid

3-(dipropylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 62668824) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(dipropylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(dipropylcarbamoylamino)-2-methylpropanoic acid
PubChem CID62668824
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(dipropylcarbamoylamino)-2-methylpropanoic acid
SMILESCCCN(CCC)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-13(7-5-2)11(16)12-8-9(3)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyCHZDSGVKIBYRAV-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670819

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(dipropylcarbamoylamino)-2-methylpropanoic acid (CID 62668824) is 3-(dipropylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(dipropylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(dipropylcarbamoylamino)-2-methylpropanoic acid is CCCN(CCC)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-(dipropylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is CHZDSGVKIBYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-13(7-5-2)11(16)12-8-9(3)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-(dipropylcarbamoylamino)-2-methylpropanoic acid?
3-(dipropylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62668824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).