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

C9H14N2O5 — CID 79279874

IUPAC2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
SMILESC=CCNCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H14N2O5/c1-2-3-10-4-7(12)11(5-8(13)14)6-9(15)16/h2,10H,1,3-6H2,(H,13,14)(H,15,16)
InChIKeyDDLPVKINHWLCCF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.24
Rot. Bonds8

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

2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid (PubChem CID 79279874) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
PubChem CID79279874
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
SMILESC=CCNCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H14N2O5/c1-2-3-10-4-7(12)11(5-8(13)14)6-9(15)16/h2,10H,1,3-6H2,(H,13,14)(H,15,16)
InChIKeyDDLPVKINHWLCCF-UHFFFAOYSA-N
XLogP-1.24
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
N-ethyl-2-(prop-2-enylamino)-N-propylacetamide
CID 79286208
N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 79277849
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
CID 79278388
2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
CID 79262862
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
3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride
CID 173396788
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 4573039
2-(prop-2-enylamino)acetic acid;pyrimidine
CID 67804683
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid (CID 79279874) is 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid is C=CCNCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
The InChIKey is DDLPVKINHWLCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-2-3-10-4-7(12)11(5-8(13)14)6-9(15)16/h2,10H,1,3-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid?
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid has a molecular weight of 230.22 g/mol, XLogP of -1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 79279874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).