(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid

C10H18N4O5 — CID 25062155

IUPAC(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c1-5(10(18)19)14-8(16)4-13-9(17)6(11)2-3-7(12)15/h5-6H,2-4,11H2,1H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyVSXBYIJUAXPAAL-WDSKDSINSA-N
MW274.28 g/mol
LogP-2.72
Rot. Bonds8

About (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid

(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid (PubChem CID 25062155) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
PubChem CID25062155
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c1-5(10(18)19)14-8(16)4-13-9(17)6(11)2-3-7(12)15/h5-6H,2-4,11H2,1H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyVSXBYIJUAXPAAL-WDSKDSINSA-N
XLogP-2.72
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
CID 143230399
4-amino-5-[[2-[[1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265240
(2S)-5-amino-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145455067
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 18235107
3-amino-4-[[5-amino-1-[[2-(1-carboxyethylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18249039
(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 175935113
(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
CID 24887233
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 18479918
4-amino-5-[[2-[[4-carboxy-1-(1-carboxyethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265332
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18479868
2-[[2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]acetyl]amino]-3-methylpentanoic acid
CID 22700718
(2S)-2-[[2-[[2-[[2-[[[(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]methyl]-1,3-thiazole-4-carbonyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 11563389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid (CID 25062155) is (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid is C[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
The InChIKey is VSXBYIJUAXPAAL-WDSKDSINSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-5(10(18)19)14-8(16)4-13-9(17)6(11)2-3-7(12)15/h5-6H,2-4,11H2,1H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of -2.72, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 25062155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).