2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid

C10H18N2O3 — CID 79278889

IUPAC2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
SMILESC=CCNCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-4-5-11-6-9(13)12(8(2)3)7-10(14)15/h4,8,11H,1,5-7H2,2-3H3,(H,14,15)
InChIKeyRTSHAWDTRMOQFQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.08
Rot. Bonds7

About 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid

2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid (PubChem CID 79278889) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
PubChem CID79278889
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
SMILESC=CCNCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-4-5-11-6-9(13)12(8(2)3)7-10(14)15/h4,8,11H,1,5-7H2,2-3H3,(H,14,15)
InChIKeyRTSHAWDTRMOQFQ-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
CID 79286034
N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79280206
N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
CID 79286394
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79278864
N,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
CID 79278388
2-[[2-[(2-acetamidoacetyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 119198762
2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide
CID 60946878
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
CID 118297525

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid (CID 79278889) is 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid is C=CCNCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
The InChIKey is RTSHAWDTRMOQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-5-11-6-9(13)12(8(2)3)7-10(14)15/h4,8,11H,1,5-7H2,2-3H3,(H,14,15).
What are the key properties of 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 79278889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).