2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid

C11H23N3O3 — CID 62635858

IUPAC2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
SMILESCC(C)N(C)CCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(2)14(5)7-6-12-10(17)13-11(3,4)9(15)16/h8H,6-7H2,1-5H3,(H,15,16)(H2,12,13,17)
InChIKeyRTSFLUPHFGWAEV-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.49
Rot. Bonds6

About 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid

2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid (PubChem CID 62635858) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
PubChem CID62635858
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
SMILESCC(C)N(C)CCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(2)14(5)7-6-12-10(17)13-11(3,4)9(15)16/h8H,6-7H2,1-5H3,(H,15,16)(H2,12,13,17)
InChIKeyRTSFLUPHFGWAEV-UHFFFAOYSA-N
XLogP0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 79803428
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62635691
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid (CID 62635858) is 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid is CC(C)N(C)CCNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
The InChIKey is RTSFLUPHFGWAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(2)14(5)7-6-12-10(17)13-11(3,4)9(15)16/h8H,6-7H2,1-5H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 62635858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).