2-[carboxymethyl(propanoyl)amino]acetic acid

C7H11NO5 — CID 18934284

IUPAC2-[carboxymethyl(propanoyl)amino]acetic acid
SMILESCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO5/c1-2-5(9)8(3-6(10)11)4-7(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyCIPNPCQFIXEXHJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.61
Rot. Bonds5

About 2-[carboxymethyl(propanoyl)amino]acetic acid

2-[carboxymethyl(propanoyl)amino]acetic acid (PubChem CID 18934284) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[carboxymethyl(propanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(propanoyl)amino]acetic acid
PubChem CID18934284
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-[carboxymethyl(propanoyl)amino]acetic acid
SMILESCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO5/c1-2-5(9)8(3-6(10)11)4-7(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyCIPNPCQFIXEXHJ-UHFFFAOYSA-N
XLogP-0.61
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
CID 115730705
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[3-ethylsulfanylpropanoyl(propyl)amino]acetic acid
CID 115730606
2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
CID 114227443

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(propanoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(propanoyl)amino]acetic acid (CID 18934284) is 2-[carboxymethyl(propanoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(propanoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(propanoyl)amino]acetic acid is CCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(propanoyl)amino]acetic acid?
The InChIKey is CIPNPCQFIXEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-2-5(9)8(3-6(10)11)4-7(12)13/h2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl(propanoyl)amino]acetic acid?
2-[carboxymethyl(propanoyl)amino]acetic acid has a molecular weight of 189.17 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(propanoyl)amino]acetic acid is sourced from PubChem (CID 18934284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).