3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid

C14H29N3O3 — CID 62670098

IUPAC3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
SMILESCCN(CC)CCCC(C)NC(=O)NCC(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-5-17(6-2)9-7-8-12(4)16-14(20)15-10-11(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyXODSFQDTLXOIRO-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.52
Rot. Bonds10

About 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid

3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid (PubChem CID 62670098) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
PubChem CID62670098
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
SMILESCCN(CC)CCCC(C)NC(=O)NCC(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-5-17(6-2)9-7-8-12(4)16-14(20)15-10-11(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyXODSFQDTLXOIRO-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
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
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
2-[3-(diethylamino)propylcarbamoylamino]butanoic acid
CID 61189654
(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid (CID 62670098) is 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid is CCN(CC)CCCC(C)NC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid?
The InChIKey is XODSFQDTLXOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-5-17(6-2)9-7-8-12(4)16-14(20)15-10-11(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid?
3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.52, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62670098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).