2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid

C10H18N4O5 — CID 25264078

IUPAC2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-5(9(18)13-4-8(16)17)14-10(19)6(11)2-3-7(12)15/h5-6H,2-4,11H2,1H3,(H2,12,15)(H,13,18)(H,14,19)(H,16,17)/t5-,6-/m0/s1
InChIKeyHHWQMFIGMMOVFK-WDSKDSINSA-N
MW274.28 g/mol
LogP-2.72
Rot. Bonds8

About 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid (PubChem CID 25264078) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
PubChem CID25264078
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-5(9(18)13-4-8(16)17)14-10(19)6(11)2-3-7(12)15/h5-6H,2-4,11H2,1H3,(H2,12,15)(H,13,18)(H,14,19)(H,16,17)/t5-,6-/m0/s1
InChIKeyHHWQMFIGMMOVFK-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 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 22700676
4-amino-5-[[4-carboxy-1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264453
(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 175935113
2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid
CID 22652207
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
2-[[(4S)-4,7-diamino-2-methyl-3,7-dioxoheptanoyl]amino]acetic acid
CID 87891226
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 18483541
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetic acid
CID 18483301
2-[[2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]acetyl]amino]-3-methylpentanoic acid
CID 22700718
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]acetic acid
CID 22652225
2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 18479487
2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]acetic acid
CID 18254493

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid (CID 25264078) is 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid is C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid?
The InChIKey is HHWQMFIGMMOVFK-WDSKDSINSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-5(9(18)13-4-8(16)17)14-10(19)6(11)2-3-7(12)15/h5-6H,2-4,11H2,1H3,(H2,12,15)(H,13,18)(H,14,19)(H,16,17)/t5-,6-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic 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 2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 25264078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).