(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid

C13H23N3O5 — CID 107826543

IUPAC(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCCCNC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-21-11(17)6-5-10(12(18)19)16-13(20)15-8-2-7-14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeySLIQJKDPMBFBNV-SNVBAGLBSA-N
MW301.34 g/mol
LogP-0.17
Rot. Bonds10

About (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107826543) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107826543
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCCCNC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-21-11(17)6-5-10(12(18)19)16-13(20)15-8-2-7-14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeySLIQJKDPMBFBNV-SNVBAGLBSA-N
XLogP-0.17
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]hexanedioic acid
CID 107838733
2-[3-(cyclopropylamino)propylcarbamoylamino]hexanoic acid
CID 61404756
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107826543) is (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NCCCNC1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is SLIQJKDPMBFBNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-21-11(17)6-5-10(12(18)19)16-13(20)15-8-2-7-14-9-3-4-9/h9-10,14H,2-8H2,1H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.17, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107826543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).