(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid

C10H17N3O6 — CID 166852820

IUPAC(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)NC(CNC=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-11-6(2-3-8(15)16)9(17)13-7(10(18)19)4-12-5-14/h5-7,11H,2-4H2,1H3,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t6-,7?/m0/s1
InChIKeyHKYBAJFHXQGHEY-PKPIPKONSA-N
MW275.26 g/mol
LogP-2.25
Rot. Bonds10

About (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid

(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid (PubChem CID 166852820) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid
PubChem CID166852820
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)NC(CNC=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-11-6(2-3-8(15)16)9(17)13-7(10(18)19)4-12-5-14/h5-7,11H,2-4H2,1H3,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t6-,7?/m0/s1
InChIKeyHKYBAJFHXQGHEY-PKPIPKONSA-N
XLogP-2.25
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-[[2-[[(2S)-3-amino-2-(methylamino)propanoyl]amino]-1-carboxyethyl]amino]-4-(methylamino)-5-oxopentanoic acid;ethane
CID 144903478
2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
CID 143106959
(4S)-5-[[2-[[(2S)-3-amino-2-(ethylamino)propanoyl]amino]-1-carboxyethyl]amino]-4-(methylamino)-5-oxopentanoic acid
CID 166852807
4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid
CID 172602566
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
2-[[3-carboxy-2-(methylamino)propanoyl]amino]-4-oxopentanoic acid;methane;4-(methylamino)-5-oxohexanoic acid;3-(methylamino)-4-oxopentanoic acid
CID 159142858
(4R)-5-[[(2R)-6-amino-1-oxohexan-2-yl]amino]-4-(methylamino)-5-oxopentanoic acid
CID 178156191
2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524099
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
2-[16-[(1-carboxy-2-formamidoethyl)amino]-16-oxohexadecyl]propanedioic acid
CID 154992291
ethane;2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524077

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid (CID 166852820) is (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid is CN[C@@H](CCC(=O)O)C(=O)NC(CNC=O)C(=O)O.
What is the InChIKey of (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid?
The InChIKey is HKYBAJFHXQGHEY-PKPIPKONSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-11-6(2-3-8(15)16)9(17)13-7(10(18)19)4-12-5-14/h5-7,11H,2-4H2,1H3,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t6-,7?/m0/s1.
What are the key properties of (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid?
(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid has a molecular weight of 275.26 g/mol, XLogP of -2.25, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 166852820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).