2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid

C10H21N3O3 — CID 115428852

IUPAC2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
SMILESCNCCN(C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-10(2,8(14)15)7-12-9(16)13(4)6-5-11-3/h11H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyYBOWCFYEDHICFR-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.04
Rot. Bonds6

About 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid

2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid (PubChem CID 115428852) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
PubChem CID115428852
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
SMILESCNCCN(C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-10(2,8(14)15)7-12-9(16)13(4)6-5-11-3/h11H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyYBOWCFYEDHICFR-UHFFFAOYSA-N
XLogP-0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
CID 81069981
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
CID 104686710
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid (CID 115428852) is 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid is CNCCN(C)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid?
The InChIKey is YBOWCFYEDHICFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,8(14)15)7-12-9(16)13(4)6-5-11-3/h11H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid?
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 115428852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).