potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride

C12H25KN6O5 — CID 174823940

IUPACpotassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
SMILESNC(=O)NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(N)=O.[H-].[K+]
InChIInChI=1S/C12H24N6O5.K.H/c13-7(3-1-5-17-11(15)21)9(19)23-10(20)8(14)4-2-6-18-12(16)22;;/h7-8H,1-6,13-14H2,(H3,15,17,21)(H3,16,18,22);;/q;+1;-1/t7-,8-;;/m0../s1
InChIKeyCISPOJNCRDMLOZ-FOMWZSOGSA-N
MW372.47 g/mol
LogP-5.28
Rot. Bonds10

About potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride

potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride (PubChem CID 174823940) has the molecular formula C12H25KN6O5 and a molecular weight of 372.47 g/mol. Its IUPAC name is potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride.

Molecular Properties

Compound Namepotassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
PubChem CID174823940
Molecular FormulaC12H25KN6O5
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC Namepotassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
SMILESNC(=O)NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(N)=O.[H-].[K+]
InChIInChI=1S/C12H24N6O5.K.H/c13-7(3-1-5-17-11(15)21)9(19)23-10(20)8(14)4-2-6-18-12(16)22;;/h7-8H,1-6,13-14H2,(H3,15,17,21)(H3,16,18,22);;/q;+1;-1/t7-,8-;;/m0../s1
InChIKeyCISPOJNCRDMLOZ-FOMWZSOGSA-N
XLogP-5.28
TPSA205.65 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 5-5.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride with MolForge

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Related Compounds

bis[(2R)-2-amino-5-(carbamoylamino)pentanoyl] butanedioate
CID 174847898
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
bis[(2S)-2-amino-5-(carbamoylamino)pentanoyl] 2-oxopentanedioate
CID 174597733
phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
CID 175024515
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
CID 18609889
[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S,3S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 156701152
(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid
CID 90823194
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122

Frequently Asked Questions

What is the IUPAC name of potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride?
The IUPAC name of potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride (CID 174823940) is potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride.
What is the SMILES notation for potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride?
The canonical SMILES for potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride is NC(=O)NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(N)=O.[H-].[K+].
What is the InChIKey of potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride?
The InChIKey is CISPOJNCRDMLOZ-FOMWZSOGSA-N. The full InChI is InChI=1S/C12H24N6O5.K.H/c13-7(3-1-5-17-11(15)21)9(19)23-10(20)8(14)4-2-6-18-12(16)22;;/h7-8H,1-6,13-14H2,(H3,15,17,21)(H3,16,18,22);;/q;+1;-1/t7-,8-;;/m0../s1.
What are the key properties of potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride?
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride has a molecular weight of 372.47 g/mol, XLogP of -5.28, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride is sourced from PubChem (CID 174823940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).