2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid

C6H11N3O4 — CID 174764731

IUPAC2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid
SMILESCC(=O)N(C(=O)CN)C(N)C(=O)O
InChIInChI=1S/C6H11N3O4/c1-3(10)9(4(11)2-7)5(8)6(12)13/h5H,2,7-8H2,1H3,(H,12,13)
InChIKeyROFUSBIILMIDBY-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.31
Rot. Bonds3

About 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid

2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid (PubChem CID 174764731) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid.

Molecular Properties

Compound Name2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid
PubChem CID174764731
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid
SMILESCC(=O)N(C(=O)CN)C(N)C(=O)O
InChIInChI=1S/C6H11N3O4/c1-3(10)9(4(11)2-7)5(8)6(12)13/h5H,2,7-8H2,1H3,(H,12,13)
InChIKeyROFUSBIILMIDBY-UHFFFAOYSA-N
XLogP-2.31
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-(2-aminoacetyl)amino]-2-sulfanylacetic acid
CID 175024501
2-[acetyl(methyl)amino]-2-aminoacetic acid
CID 87643203
4-amino-2-[bis(2-aminoacetyl)amino]-6-methyl-3-oxoheptanoic acid
CID 88756231
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
2-[(2-aminoacetyl)-(2-methylprop-2-enoyl)amino]-3-phenylpropanoic acid
CID 67356332
(2S)-2-[(2-aminoacetyl)-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 175272081
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
CID 87582497
acetic acid;2,2-diaminoacetic acid
CID 129094898
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid
CID 156903782
3-(diacetylamino)pentanedioic acid
CID 89234095

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid?
The IUPAC name of 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid (CID 174764731) is 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid.
What is the SMILES notation for 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid?
The canonical SMILES for 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid is CC(=O)N(C(=O)CN)C(N)C(=O)O.
What is the InChIKey of 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid?
The InChIKey is ROFUSBIILMIDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-3(10)9(4(11)2-7)5(8)6(12)13/h5H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid?
2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid has a molecular weight of 189.17 g/mol, XLogP of -2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid is sourced from PubChem (CID 174764731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).