4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid

C10H17N3O7 — CID 18223886

IUPAC4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid
SMILESNC(CO)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O7/c11-5(4-14)9(19)13-6(1-2-7(15)16)10(20)12-3-8(17)18/h5-6,14H,1-4,11H2,(H,12,20)(H,13,19)(H,15,16)(H,17,18)
InChIKeyYRBGKVIWMNEVCZ-UHFFFAOYSA-N
MW291.26 g/mol
LogP-3.14
Rot. Bonds9

About 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid

4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid (PubChem CID 18223886) has the molecular formula C10H17N3O7 and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid
PubChem CID18223886
Molecular FormulaC10H17N3O7
Molecular Weight291.26 g/mol
Exact Mass291.11
IUPAC Name4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid
SMILESNC(CO)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O7/c11-5(4-14)9(19)13-6(1-2-7(15)16)10(20)12-3-8(17)18/h5-6,14H,1-4,11H2,(H,12,20)(H,13,19)(H,15,16)(H,17,18)
InChIKeyYRBGKVIWMNEVCZ-UHFFFAOYSA-N
XLogP-3.14
TPSA179.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.26
LogP ≤ 5-3.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-3-carboxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 18219463
4-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 18743607
4-[(2-amino-3-carboxypropanoyl)amino]-5-[[3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18248567
4-amino-5-[[1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22698723
4-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 22653382
(4S)-4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 10215296
4-amino-5-[[1-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22698663
2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 145457797
4-amino-5-[[4-carboxy-1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264453
3-amino-4-[[5-amino-1-[[3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18248966
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 18223812
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid?
The IUPAC name of 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid (CID 18223886) is 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid is NC(CO)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O.
What is the InChIKey of 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid?
The InChIKey is YRBGKVIWMNEVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O7/c11-5(4-14)9(19)13-6(1-2-7(15)16)10(20)12-3-8(17)18/h5-6,14H,1-4,11H2,(H,12,20)(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid?
4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid has a molecular weight of 291.26 g/mol, XLogP of -3.14, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 18223886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).