(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid

C7H13N3O5 — CID 25057939

IUPAC(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESNCC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-1-5(12)9-2-6(13)10-4(3-11)7(14)15/h4,11H,1-3,8H2,(H,9,12)(H,10,13)(H,14,15)/t4-/m0/s1
InChIKeyYWAQATDNEKZFFK-BYPYZUCNSA-N
MW219.20 g/mol
LogP-3.38
Rot. Bonds6

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

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 25057939) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID25057939
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESNCC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-1-5(12)9-2-6(13)10-4(3-11)7(14)15/h4,11H,1-3,8H2,(H,9,12)(H,10,13)(H,14,15)/t4-/m0/s1
InChIKeyYWAQATDNEKZFFK-BYPYZUCNSA-N
XLogP-3.38
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid (CID 25057939) is (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid is NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is YWAQATDNEKZFFK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-1-5(12)9-2-6(13)10-4(3-11)7(14)15/h4,11H,1-3,8H2,(H,9,12)(H,10,13)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 219.20 g/mol, XLogP of -3.38, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 25057939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).