2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid

C12H24N2O3 — CID 65218574

IUPAC2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCCCN(CC)C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-5-7-14(6-2)12(17)13-8-10(9(3)4)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBLNVPZRPXHKJPT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds7

About 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid

2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65218574) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65218574
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCCCN(CC)C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-5-7-14(6-2)12(17)13-8-10(9(3)4)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBLNVPZRPXHKJPT-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474068
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (CID 65218574) is 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is CCCN(CC)C(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is BLNVPZRPXHKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-14(6-2)12(17)13-8-10(9(3)4)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65218574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).