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

C11H22N4O4 — CID 62635691

IUPAC2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESCC(C)N(C)CCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H22N4O4/c1-8(2)15(3)5-4-12-11(19)14-6-9(16)13-7-10(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyZYDYKSWDVZXOMD-UHFFFAOYSA-N
MW274.32 g/mol
LogP-1.17
Rot. Bonds8

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

2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 62635691) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID62635691
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESCC(C)N(C)CCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H22N4O4/c1-8(2)15(3)5-4-12-11(19)14-6-9(16)13-7-10(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyZYDYKSWDVZXOMD-UHFFFAOYSA-N
XLogP-1.17
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569861
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
(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
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 79803428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid (CID 62635691) is 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid is CC(C)N(C)CCNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is ZYDYKSWDVZXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-8(2)15(3)5-4-12-11(19)14-6-9(16)13-7-10(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,12,14,19).
What are the key properties of 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of -1.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 62635691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).