3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid

C7H13N3O4 — CID 7010488

IUPAC3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
SMILESNCC(=O)NCC(=O)NCCC(=O)O
InChIInChI=1S/C7H13N3O4/c8-3-5(11)10-4-6(12)9-2-1-7(13)14/h1-4,8H2,(H,9,12)(H,10,11)(H,13,14)
InChIKeyCRMUXMHAUJKVRJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.35
Rot. Bonds6

About 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid

3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid (PubChem CID 7010488) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
PubChem CID7010488
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
SMILESNCC(=O)NCC(=O)NCCC(=O)O
InChIInChI=1S/C7H13N3O4/c8-3-5(11)10-4-6(12)9-2-1-7(13)14/h1-4,8H2,(H,9,12)(H,10,11)(H,13,14)
InChIKeyCRMUXMHAUJKVRJ-UHFFFAOYSA-N
XLogP-2.35
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid (CID 7010488) is 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid is NCC(=O)NCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
The InChIKey is CRMUXMHAUJKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-3-5(11)10-4-6(12)9-2-1-7(13)14/h1-4,8H2,(H,9,12)(H,10,11)(H,13,14).
What are the key properties of 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid has a molecular weight of 203.20 g/mol, XLogP of -2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 7010488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).