2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid

C12H22N4O5 — CID 71424311

IUPAC2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)CCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C12H22N4O5/c1-7(11(20)14-6-10(18)19)16-12(21)8(2)15-9(17)4-3-5-13/h7-8H,3-6,13H2,1-2H3,(H,14,20)(H,15,17)(H,16,21)(H,18,19)/t7-,8-/m0/s1
InChIKeyQGUHCJCKCOHWNT-YUMQZZPRSA-N
MW302.33 g/mol
LogP-2.06
Rot. Bonds9

About 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid (PubChem CID 71424311) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
PubChem CID71424311
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)CCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C12H22N4O5/c1-7(11(20)14-6-10(18)19)16-12(21)8(2)15-9(17)4-3-5-13/h7-8H,3-6,13H2,1-2H3,(H,14,20)(H,15,17)(H,16,21)(H,18,19)/t7-,8-/m0/s1
InChIKeyQGUHCJCKCOHWNT-YUMQZZPRSA-N
XLogP-2.06
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424310
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
CID 101100546
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]acetic acid
CID 89183168
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]acetic acid
CID 18254493
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 18490644
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-sulfanylpropanoyl]amino]acetic acid
CID 18484839
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 175735933
2-[(2S)-2-(4-aminobutanoylamino)-3-methylbutanoyl]oxyacetic acid
CID 88551584

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid (CID 71424311) is 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid is C[C@H](NC(=O)CCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
The InChIKey is QGUHCJCKCOHWNT-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-7(11(20)14-6-10(18)19)16-12(21)8(2)15-9(17)4-3-5-13/h7-8H,3-6,13H2,1-2H3,(H,14,20)(H,15,17)(H,16,21)(H,18,19)/t7-,8-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of -2.06, 9 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-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 71424311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).