5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid

C8H16N2O5 — CID 87496959

IUPAC5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid
SMILESCOC(CC(CN)NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-15-6(8(13)14)2-5(3-9)10-4-7(11)12/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyTVVKBCVOHZMGRV-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.52
Rot. Bonds8

About 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid

5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid (PubChem CID 87496959) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid.

Molecular Properties

Compound Name5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid
PubChem CID87496959
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid
SMILESCOC(CC(CN)NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-15-6(8(13)14)2-5(3-9)10-4-7(11)12/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyTVVKBCVOHZMGRV-UHFFFAOYSA-N
XLogP-1.52
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methoxy-4-methylpentanoic acid
CID 89093087
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923
4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine
CID 114616213
5-amino-2-methoxypentanoic acid;hydrochloride
CID 160515650
(2R)-3-hydroxy-2-methoxypropanoic acid
CID 20849197
2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
CID 87428208
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
2-(carboxymethylamino)propanoic acid
CID 2764308
2,7-dimethoxyoctanedioic acid
CID 22717305
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
CID 101261454
2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
CID 88704450

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid?
The IUPAC name of 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid (CID 87496959) is 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid.
What is the SMILES notation for 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid?
The canonical SMILES for 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid is COC(CC(CN)NCC(=O)O)C(=O)O.
What is the InChIKey of 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid?
The InChIKey is TVVKBCVOHZMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-15-6(8(13)14)2-5(3-9)10-4-7(11)12/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid?
5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid has a molecular weight of 220.22 g/mol, XLogP of -1.52, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid is sourced from PubChem (CID 87496959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).