5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid

C12H22N4O5 — CID 103995632

IUPAC5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
SMILESCC(C)NC(=O)CCNC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5/c1-7(2)15-10(18)5-6-14-12(21)16-8(11(19)20)3-4-9(13)17/h7-8H,3-6H2,1-2H3,(H2,13,17)(H,15,18)(H,19,20)(H2,14,16,21)
InChIKeyROPDZPRZEHTRLN-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.08
Rot. Bonds9

About 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid

5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid (PubChem CID 103995632) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
PubChem CID103995632
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
SMILESCC(C)NC(=O)CCNC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5/c1-7(2)15-10(18)5-6-14-12(21)16-8(11(19)20)3-4-9(13)17/h7-8H,3-6H2,1-2H3,(H2,13,17)(H,15,18)(H,19,20)(H2,14,16,21)
InChIKeyROPDZPRZEHTRLN-UHFFFAOYSA-N
XLogP-1.08
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid
CID 170287274
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
CID 106039241
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid (CID 103995632) is 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid is CC(C)NC(=O)CCNC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid?
The InChIKey is ROPDZPRZEHTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-7(2)15-10(18)5-6-14-12(21)16-8(11(19)20)3-4-9(13)17/h7-8H,3-6H2,1-2H3,(H2,13,17)(H,15,18)(H,19,20)(H2,14,16,21).
What are the key properties of 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid?
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid has a molecular weight of 302.33 g/mol, XLogP of -1.08, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 103995632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).