2-[2-formamidoethyl(propan-2-yl)amino]acetic acid

C8H16N2O3 — CID 118297525

IUPAC2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCNC=O)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-7(2)10(5-8(12)13)4-3-9-6-11/h6-7H,3-5H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyXBHHACVCYHZUSS-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.47
Rot. Bonds7

About 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid

2-[2-formamidoethyl(propan-2-yl)amino]acetic acid (PubChem CID 118297525) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
PubChem CID118297525
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCNC=O)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-7(2)10(5-8(12)13)4-3-9-6-11/h6-7H,3-5H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyXBHHACVCYHZUSS-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-formamidoethyl(methyl)amino]acetic acid
CID 118297504
2-[2-[carboxymethyl(propan-2-yl)amino]ethylamino]ethyl-trimethylazanium
CID 176601656
N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide
CID 18475247
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
3-[methyl-[2-[2-[2-[2-[methyl(3-oxopropyl)amino]ethylamino]ethyl-propan-2-ylamino]ethylamino]ethyl]amino]propanoic acid
CID 157189779
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
CID 60832957
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
CID 60840141
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350

Frequently Asked Questions

What is the IUPAC name of 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid (CID 118297525) is 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid is CC(C)N(CCNC=O)CC(=O)O.
What is the InChIKey of 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid?
The InChIKey is XBHHACVCYHZUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(2)10(5-8(12)13)4-3-9-6-11/h6-7H,3-5H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid?
2-[2-formamidoethyl(propan-2-yl)amino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-formamidoethyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 118297525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).