(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid

C15H31N3O3 — CID 107565974

IUPAC(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)CCCN(CC)CC)C(=O)O
InChIInChI=1S/C15H31N3O3/c1-5-9-13(14(19)20)17-15(21)16-12(4)10-8-11-18(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1
InChIKeyZHTUQRDIWGGCOG-ZGTCLIOFSA-N
MW301.43 g/mol
LogP2.05
Rot. Bonds11

About (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid

(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid (PubChem CID 107565974) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
PubChem CID107565974
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)CCCN(CC)CC)C(=O)O
InChIInChI=1S/C15H31N3O3/c1-5-9-13(14(19)20)17-15(21)16-12(4)10-8-11-18(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1
InChIKeyZHTUQRDIWGGCOG-ZGTCLIOFSA-N
XLogP2.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
CID 64580859
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid (CID 107565974) is (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)CCCN(CC)CC)C(=O)O.
What is the InChIKey of (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid?
The InChIKey is ZHTUQRDIWGGCOG-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-5-9-13(14(19)20)17-15(21)16-12(4)10-8-11-18(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid?
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid has a molecular weight of 301.43 g/mol, XLogP of 2.05, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107565974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).