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

C7H13N3O4 — CID 6992378

IUPAC(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-4(7(13)14)10-6(12)3-9-5(11)2-8/h4H,2-3,8H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t4-/m0/s1
InChIKeyCCQOOWAONKGYKQ-BYPYZUCNSA-N
MW203.20 g/mol
LogP-2.35
Rot. Bonds5

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

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid (PubChem CID 6992378) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
PubChem CID6992378
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-4(7(13)14)10-6(12)3-9-5(11)2-8/h4H,2-3,8H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t4-/m0/s1
InChIKeyCCQOOWAONKGYKQ-BYPYZUCNSA-N
XLogP-2.35
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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 (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid (CID 6992378) is (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid is C[C@H](NC(=O)CNC(=O)CN)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
The InChIKey is CCQOOWAONKGYKQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-4(7(13)14)10-6(12)3-9-5(11)2-8/h4H,2-3,8H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid?
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid has a molecular weight of 203.20 g/mol, XLogP of -2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 6992378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).