(2R)-2-(diethylamino)pentanoic acid

C9H19NO2 — CID 30030442

IUPAC(2R)-2-(diethylamino)pentanoic acid
SMILESCCC[C@H](C(=O)O)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-4-7-8(9(11)12)10(5-2)6-3/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyBNLVMLKEPCRKFV-MRVPVSSYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds6

About (2R)-2-(diethylamino)pentanoic acid

(2R)-2-(diethylamino)pentanoic acid (PubChem CID 30030442) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-2-(diethylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(diethylamino)pentanoic acid
PubChem CID30030442
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-2-(diethylamino)pentanoic acid
SMILESCCC[C@H](C(=O)O)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-4-7-8(9(11)12)10(5-2)6-3/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyBNLVMLKEPCRKFV-MRVPVSSYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-(diethylamino)heptanoic acid
CID 43803668
2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
CID 83041188
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
CID 155231128
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
CID 150761087
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)pentanoic acid?
The IUPAC name of (2R)-2-(diethylamino)pentanoic acid (CID 30030442) is (2R)-2-(diethylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(diethylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(diethylamino)pentanoic acid is CCC[C@H](C(=O)O)N(CC)CC.
What is the InChIKey of (2R)-2-(diethylamino)pentanoic acid?
The InChIKey is BNLVMLKEPCRKFV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7-8(9(11)12)10(5-2)6-3/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)pentanoic acid?
(2R)-2-(diethylamino)pentanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)pentanoic acid is sourced from PubChem (CID 30030442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).